2,4,4-trifluorocyclohexan-1-amine

C6H10F3N — CID 131451950

IUPAC2,4,4-trifluorocyclohexan-1-amine
SMILESNC1CCC(F)(F)CC1F
InChIInChI=1S/C6H10F3N/c7-4-3-6(8,9)2-1-5(4)10/h4-5H,1-3,10H2
InChIKeyJJJMJVVVFVVZMW-UHFFFAOYSA-N
MW153.15 g/mol
LogP1.47
Rot. Bonds

About 2,4,4-trifluorocyclohexan-1-amine

2,4,4-trifluorocyclohexan-1-amine (PubChem CID 131451950) has the molecular formula C6H10F3N and a molecular weight of 153.15 g/mol. Its IUPAC name is 2,4,4-trifluorocyclohexan-1-amine.

Molecular Properties

Compound Name2,4,4-trifluorocyclohexan-1-amine
PubChem CID131451950
Molecular FormulaC6H10F3N
Molecular Weight153.15 g/mol
Exact Mass153.08
IUPAC Name2,4,4-trifluorocyclohexan-1-amine
SMILESNC1CCC(F)(F)CC1F
InChIInChI=1S/C6H10F3N/c7-4-3-6(8,9)2-1-5(4)10/h4-5H,1-3,10H2
InChIKeyJJJMJVVVFVVZMW-UHFFFAOYSA-N
XLogP1.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.15
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(1S,2R)-2-amino-5,5-difluorocyclohexan-1-ol;hydrochloride
CID 171316370
2-amino-5,5-difluorocyclohexane-1-carboxylic acid
CID 83854797
[(1S,2R)-2-amino-5,5-difluorocyclohexyl] carbamate
CID 175009016
3,3-difluorocyclohexan-1-amine;hydrochloride
CID 71711147
(1R)-3,3-difluorocycloheptan-1-amine
CID 97055145
(3S)-1,1-difluoro-3-methylcyclopentane
CID 59434161
4,4-difluoro-2-methylcyclopentan-1-amine
CID 168962386
2-fluorocyclopropan-1-amine
CID 10197614
(4aS,8aS)-7,7-difluoro-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene
CID 162534781
6,6-difluoro-1,2,3,3a,4,5,7,7a-octahydroindene
CID 45090704
O-[(3,3-difluorocyclopentyl)methyl]hydroxylamine
CID 126974531
cis-(1R,2R)-2-ethyl-4,4-difluorocyclohexan-1-ol
CID 121407303

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trifluorocyclohexan-1-amine?
The IUPAC name of 2,4,4-trifluorocyclohexan-1-amine (CID 131451950) is 2,4,4-trifluorocyclohexan-1-amine.
What is the SMILES notation for 2,4,4-trifluorocyclohexan-1-amine?
The canonical SMILES for 2,4,4-trifluorocyclohexan-1-amine is NC1CCC(F)(F)CC1F.
What is the InChIKey of 2,4,4-trifluorocyclohexan-1-amine?
The InChIKey is JJJMJVVVFVVZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3N/c7-4-3-6(8,9)2-1-5(4)10/h4-5H,1-3,10H2.
What are the key properties of 2,4,4-trifluorocyclohexan-1-amine?
2,4,4-trifluorocyclohexan-1-amine has a molecular weight of 153.15 g/mol, XLogP of 1.47, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trifluorocyclohexan-1-amine is sourced from PubChem (CID 131451950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).