1-Ethynyl-4,4-difluorocyclohexan-1-ol

CAT: 0926-WHC09982-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-WHC09982-01Size:50 mg

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CAS Number

1446099-82-6

MDL Number

MFCD31665049

Smiles

C#CC1 (CCC (CC1) (F) F) O

Molecular Formula

C8H10F2O

Molecular Weight

160.16 g/mol

Controlled

Chemical Information

1-Ethynyl-4,4-difluorocyclohexan-1-ol

CAS Number	1446099-82-6
PubChem CID	125480698
IUPAC Name	1-ethynyl-4,4-difluorocyclohexan-1-ol
Molecular Formula	C8H10F2O
Molecular Weight	160.16
XLogP	1.9
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	191

SMILES

C#CC1(CCC(CC1)(F)F)O

InChI

InChI=1S/C8H10F2O/c1-2-7(11)3-5-8(9,10)6-4-7/h1,11H,3-6H2

InChIKey

VIYXTSQEIPRJEZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1446099-82-6

CID: 125480698

Formula: C8H10F2O

MW: 160.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	160.16
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	160.06997126
Monoisotopic Mass	160.06997126
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	191
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
CZB80808-01	1- (Aminomethyl) -4,4-difluorocyclohexan-1-ol hydrochloride
FD104427-01	4,4-Difluorocyclohexan-1-one
TCA48362-01	1-Ethynyl-4,4-dimethylcyclohexan-1-ol
CYB24566-01	4-Ethynyl-1,1-difluorocyclohexane
RZC06309-01	N- (Cyclopropylmethyl) -4,4-difluorocyclohexan-1-amine
FE34314	1-Ethynyl-cyclohexan-1-ol
URB27744-01	4-[2- (Trimethylsilyl) ethynyl]oxan-4-ol
UJC59078-01	2- (4,4-Difluorocyclohexyl) ethan-1-ol
FE142661-01	1-Ethynyl-4-phenoxybenzene
ELB69435-01	1-Ethynyl-4-fluoronaphthalene

Catalog	Name
PC51054-01	4,4-Difluorocyclohexan-1-ol
PC1026923-01	1- (Aminomethyl) -4,4-difluorocyclohexan-1-ol hydrochloride
PC48925	1- (3-Bromophenyl) -4,4-difluorocyclohexan-1-ol
OR83118-01	4'-Ethynyl-[1,1'-biphenyl]-4-ol
PC7922-01	4,4-Difluorocyclohexan-1-one
PC901499-01	4,4-Difluorocyclohexan-1-amine
OR1049108-01	1-Ethynyl-4-methylcyclohexan-1-ol
OR92619-01	4-Ethynyl-1-tert-butoxycarbonylpiperidin-4-ol
PC403135	1-Benzyl-4,4-difluorocyclohexan-1-aminehydrochloride
PC7317-01	4,4-Difluorocyclohexan-1-amine hydrochloride