Flucindole

CAT: 0926-FF99466-04Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-FF99466-04Size:50 mg

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CAS Number

40594-09-0

MDL Number

MFCD00866676

Smiles

CN (C) C1CCC2=C (C1) C3=C (N2) C (=CC (=C3) F) F

Molecular Formula

C14H16F2N2

Molecular Weight

250.29 g/mol

Controlled

Chemical Information

Flucindole

RN given refers to parent cpd with unspecified isomeric designation; structure in first source

CAS Number	40594-09-0
PubChem CID	38531
IUPAC Name	6,8-difluoro-N,N-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine
Molecular Formula	C14H16F2N2
Molecular Weight	250.29
XLogP	3
Topological Polar Surface Area	19
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	18
Formal Charge	0
Complexity	310

SMILES

CN(C)C1CCC2=C(C1)C3=C(N2)C(=CC(=C3)F)F

InChI

InChI=1S/C14H16F2N2/c1-18(2)9-3-4-13-10(7-9)11-5-8(15)6-12(16)14(11)17-13/h5-6,9,17H,3-4,7H2,1-2H3

InChIKey

FXNCRITWFOVSEP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 40594-09-0

CID: 38531

Formula: C14H16F2N2

MW: 250.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	250.29
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	250.12815484
Monoisotopic Mass	250.12815484
Topological Polar Surface Area	19 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	310
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

Catalog	Name
T202719-01	Flucindole HCl