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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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).