1,2,2-Trifluorocyclohexanecarboxylic acid

CAT: 0926-JWC91958-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-JWC91958-01Size:50 mg

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CAS Number

1784919-58-9

MDL Number

MFCD27997485

Smiles

C1CCC (C (C1) (C (=O) O) F) (F) F

Molecular Formula

C7H9F3O2

Molecular Weight

182.14 g/mol

Controlled

Chemical Information

1,2,2-Trifluorocyclohexanecarboxylic acid

CAS Number	1784919-58-9
PubChem CID	84768656
IUPAC Name	1,2,2-trifluorocyclohexane-1-carboxylic acid
Molecular Formula	C7H9F3O2
Molecular Weight	182.14
XLogP	1.9
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	205

SMILES

C1CCC(C(C1)(C(=O)O)F)(F)F

InChI

InChI=1S/C7H9F3O2/c8-6(5(11)12)3-1-2-4-7(6,9)10/h1-4H2,(H,11,12)

InChIKey

JYFQSOQHJWRRMS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1784919-58-9

CID: 84768656

Formula: C7H9F3O2

MW: 182.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	182.14
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	182.05546401
Monoisotopic Mass	182.05546401
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	205
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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