[3-(trifluoromethyl)cyclohexyl]methanamine

C8H14F3N — CID 54423793

IUPAC[3-(trifluoromethyl)cyclohexyl]methanamine
SMILESNCC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C8H14F3N/c9-8(10,11)7-3-1-2-6(4-7)5-12/h6-7H,1-5,12H2
InChIKeyWCQDDUFZBFJYIO-UHFFFAOYSA-N
MW181.20 g/mol
LogP2.31
Rot. Bonds1

About [3-(trifluoromethyl)cyclohexyl]methanamine

[3-(trifluoromethyl)cyclohexyl]methanamine (PubChem CID 54423793) has the molecular formula C8H14F3N and a molecular weight of 181.20 g/mol. Its IUPAC name is [3-(trifluoromethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[3-(trifluoromethyl)cyclohexyl]methanamine
PubChem CID54423793
Molecular FormulaC8H14F3N
Molecular Weight181.20 g/mol
Exact Mass181.11
IUPAC Name[3-(trifluoromethyl)cyclohexyl]methanamine
SMILESNCC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C8H14F3N/c9-8(10,11)7-3-1-2-6(4-7)5-12/h6-7H,1-5,12H2
InChIKeyWCQDDUFZBFJYIO-UHFFFAOYSA-N
XLogP2.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [3-(trifluoromethyl)cyclohexyl]methanamine?
The IUPAC name of [3-(trifluoromethyl)cyclohexyl]methanamine (CID 54423793) is [3-(trifluoromethyl)cyclohexyl]methanamine.
What is the SMILES notation for [3-(trifluoromethyl)cyclohexyl]methanamine?
The canonical SMILES for [3-(trifluoromethyl)cyclohexyl]methanamine is NCC1CCCC(C(F)(F)F)C1.
What is the InChIKey of [3-(trifluoromethyl)cyclohexyl]methanamine?
The InChIKey is WCQDDUFZBFJYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N/c9-8(10,11)7-3-1-2-6(4-7)5-12/h6-7H,1-5,12H2.
What are the key properties of [3-(trifluoromethyl)cyclohexyl]methanamine?
[3-(trifluoromethyl)cyclohexyl]methanamine has a molecular weight of 181.20 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(trifluoromethyl)cyclohexyl]methanamine is sourced from PubChem (CID 54423793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).