4-(trifluoromethyl)cycloheptan-1-amine

C8H14F3N — CID 86775157

IUPAC4-(trifluoromethyl)cycloheptan-1-amine
SMILESNC1CCCC(C(F)(F)F)CC1
InChIInChI=1S/C8H14F3N/c9-8(10,11)6-2-1-3-7(12)5-4-6/h6-7H,1-5,12H2
InChIKeyIVPFJTHFLFUUHY-UHFFFAOYSA-N
MW181.20 g/mol
LogP2.46
Rot. Bonds

About 4-(trifluoromethyl)cycloheptan-1-amine

4-(trifluoromethyl)cycloheptan-1-amine (PubChem CID 86775157) has the molecular formula C8H14F3N and a molecular weight of 181.20 g/mol. Its IUPAC name is 4-(trifluoromethyl)cycloheptan-1-amine.

Molecular Properties

Compound Name4-(trifluoromethyl)cycloheptan-1-amine
PubChem CID86775157
Molecular FormulaC8H14F3N
Molecular Weight181.20 g/mol
Exact Mass181.11
IUPAC Name4-(trifluoromethyl)cycloheptan-1-amine
SMILESNC1CCCC(C(F)(F)F)CC1
InChIInChI=1S/C8H14F3N/c9-8(10,11)6-2-1-3-7(12)5-4-6/h6-7H,1-5,12H2
InChIKeyIVPFJTHFLFUUHY-UHFFFAOYSA-N
XLogP2.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)cycloheptan-1-amine?
The IUPAC name of 4-(trifluoromethyl)cycloheptan-1-amine (CID 86775157) is 4-(trifluoromethyl)cycloheptan-1-amine.
What is the SMILES notation for 4-(trifluoromethyl)cycloheptan-1-amine?
The canonical SMILES for 4-(trifluoromethyl)cycloheptan-1-amine is NC1CCCC(C(F)(F)F)CC1.
What is the InChIKey of 4-(trifluoromethyl)cycloheptan-1-amine?
The InChIKey is IVPFJTHFLFUUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N/c9-8(10,11)6-2-1-3-7(12)5-4-6/h6-7H,1-5,12H2.
What are the key properties of 4-(trifluoromethyl)cycloheptan-1-amine?
4-(trifluoromethyl)cycloheptan-1-amine has a molecular weight of 181.20 g/mol, XLogP of 2.46, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)cycloheptan-1-amine is sourced from PubChem (CID 86775157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).