5-(1,1-difluoroethyl)-3-fluorocyclohexen-1-amine

C8H12F3N — CID 134409095

IUPAC5-(1,1-difluoroethyl)-3-fluorocyclohexen-1-amine
SMILESCC(F)(F)C1CC(N)=CC(F)C1
InChIInChI=1S/C8H12F3N/c1-8(10,11)5-2-6(9)4-7(12)3-5/h4-6H,2-3,12H2,1H3
InChIKeyAVXVQGPYKMHGRH-UHFFFAOYSA-N
MW179.19 g/mol
LogP2.23
Rot. Bonds1

About 5-(1,1-difluoroethyl)-3-fluorocyclohexen-1-amine

5-(1,1-difluoroethyl)-3-fluorocyclohexen-1-amine (PubChem CID 134409095) has the molecular formula C8H12F3N and a molecular weight of 179.19 g/mol. Its IUPAC name is 5-(1,1-difluoroethyl)-3-fluorocyclohexen-1-amine.

Molecular Properties

Compound Name5-(1,1-difluoroethyl)-3-fluorocyclohexen-1-amine
PubChem CID134409095
Molecular FormulaC8H12F3N
Molecular Weight179.19 g/mol
Exact Mass179.09
IUPAC Name5-(1,1-difluoroethyl)-3-fluorocyclohexen-1-amine
SMILESCC(F)(F)C1CC(N)=CC(F)C1
InChIInChI=1S/C8H12F3N/c1-8(10,11)5-2-6(9)4-7(12)3-5/h4-6H,2-3,12H2,1H3
InChIKeyAVXVQGPYKMHGRH-UHFFFAOYSA-N
XLogP2.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(1,1-Difluoroethyl)cyclohexa-1,3-dien-1-amine
CID 68342203
4-Methyl-6-(trifluoromethyl)cyclohexen-1-amine
CID 89038480
5,6-Dimethyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
CID 89073739
6-Methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
CID 89074118
4-(Trifluoromethyl)cyclohexen-1-amine
CID 89074199
(6R)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methylcyclohexa-1,3-dien-1-amine
CID 89555619
4-Methyl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
CID 90005370
(3R,6S)-6-fluoro-3-methylcyclohexen-1-amine
CID 118069798
4-[(1S,4S)-4-(1,1-difluoroethyl)cyclohex-2-en-1-yl]but-1-en-2-amine
CID 118311879
4-Fluoro-6-methylcyclohexen-1-amine
CID 118629867
(1E,5S)-4-methyl-5-(trifluoromethyl)cycloocten-1-amine
CID 126592411
(5Z)-3-(2,2-difluoropropyl)-4-methylocta-1,5,7-trien-2-amine
CID 131995515

Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoroethyl)-3-fluorocyclohexen-1-amine?
The IUPAC name of 5-(1,1-difluoroethyl)-3-fluorocyclohexen-1-amine (CID 134409095) is 5-(1,1-difluoroethyl)-3-fluorocyclohexen-1-amine.
What is the SMILES notation for 5-(1,1-difluoroethyl)-3-fluorocyclohexen-1-amine?
The canonical SMILES for 5-(1,1-difluoroethyl)-3-fluorocyclohexen-1-amine is CC(F)(F)C1CC(N)=CC(F)C1.
What is the InChIKey of 5-(1,1-difluoroethyl)-3-fluorocyclohexen-1-amine?
The InChIKey is AVXVQGPYKMHGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N/c1-8(10,11)5-2-6(9)4-7(12)3-5/h4-6H,2-3,12H2,1H3.
What are the key properties of 5-(1,1-difluoroethyl)-3-fluorocyclohexen-1-amine?
5-(1,1-difluoroethyl)-3-fluorocyclohexen-1-amine has a molecular weight of 179.19 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoroethyl)-3-fluorocyclohexen-1-amine is sourced from PubChem (CID 134409095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).