3-(trifluoromethyl)-N-[3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine

C14H21F6N — CID 43810724

IUPAC3-(trifluoromethyl)-N-[3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
SMILESFC(F)(F)C1CCCC(NC2CCCC(C(F)(F)F)C2)C1
InChIInChI=1S/C14H21F6N/c15-13(16,17)9-3-1-5-11(7-9)21-12-6-2-4-10(8-12)14(18,19)20/h9-12,21H,1-8H2
InChIKeyCWLMKZQZGZWEAK-UHFFFAOYSA-N
MW317.32 g/mol
LogP4.82
Rot. Bonds2

About 3-(trifluoromethyl)-N-[3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine

3-(trifluoromethyl)-N-[3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine (PubChem CID 43810724) has the molecular formula C14H21F6N and a molecular weight of 317.32 g/mol. Its IUPAC name is 3-(trifluoromethyl)-N-[3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-(trifluoromethyl)-N-[3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
PubChem CID43810724
Molecular FormulaC14H21F6N
Molecular Weight317.32 g/mol
Exact Mass317.16
IUPAC Name3-(trifluoromethyl)-N-[3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
SMILESFC(F)(F)C1CCCC(NC2CCCC(C(F)(F)F)C2)C1
InChIInChI=1S/C14H21F6N/c15-13(16,17)9-3-1-5-11(7-9)21-12-6-2-4-10(8-12)14(18,19)20/h9-12,21H,1-8H2
InChIKeyCWLMKZQZGZWEAK-UHFFFAOYSA-N
XLogP4.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-N-[3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine?
The IUPAC name of 3-(trifluoromethyl)-N-[3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine (CID 43810724) is 3-(trifluoromethyl)-N-[3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine.
What is the SMILES notation for 3-(trifluoromethyl)-N-[3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine?
The canonical SMILES for 3-(trifluoromethyl)-N-[3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine is FC(F)(F)C1CCCC(NC2CCCC(C(F)(F)F)C2)C1.
What is the InChIKey of 3-(trifluoromethyl)-N-[3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine?
The InChIKey is CWLMKZQZGZWEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F6N/c15-13(16,17)9-3-1-5-11(7-9)21-12-6-2-4-10(8-12)14(18,19)20/h9-12,21H,1-8H2.
What are the key properties of 3-(trifluoromethyl)-N-[3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine?
3-(trifluoromethyl)-N-[3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine has a molecular weight of 317.32 g/mol, XLogP of 4.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-N-[3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine is sourced from PubChem (CID 43810724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).