[4-(trifluoromethyl)cyclohexyl]methanamine

C8H14F3N — CID 22337633

IUPAC[4-(trifluoromethyl)cyclohexyl]methanamine
SMILESNCC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C8H14F3N/c9-8(10,11)7-3-1-6(5-12)2-4-7/h6-7H,1-5,12H2
InChIKeyXAKIXQQQAQHCMN-UHFFFAOYSA-N
MW181.20 g/mol
LogP2.31
Rot. Bonds1

About [4-(trifluoromethyl)cyclohexyl]methanamine

[4-(trifluoromethyl)cyclohexyl]methanamine (PubChem CID 22337633) has the molecular formula C8H14F3N and a molecular weight of 181.20 g/mol. Its IUPAC name is [4-(trifluoromethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-(trifluoromethyl)cyclohexyl]methanamine
PubChem CID22337633
Molecular FormulaC8H14F3N
Molecular Weight181.20 g/mol
Exact Mass181.11
IUPAC Name[4-(trifluoromethyl)cyclohexyl]methanamine
SMILESNCC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C8H14F3N/c9-8(10,11)7-3-1-6(5-12)2-4-7/h6-7H,1-5,12H2
InChIKeyXAKIXQQQAQHCMN-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 [4-(trifluoromethyl)cyclohexyl]methanamine?
The IUPAC name of [4-(trifluoromethyl)cyclohexyl]methanamine (CID 22337633) is [4-(trifluoromethyl)cyclohexyl]methanamine.
What is the SMILES notation for [4-(trifluoromethyl)cyclohexyl]methanamine?
The canonical SMILES for [4-(trifluoromethyl)cyclohexyl]methanamine is NCC1CCC(C(F)(F)F)CC1.
What is the InChIKey of [4-(trifluoromethyl)cyclohexyl]methanamine?
The InChIKey is XAKIXQQQAQHCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N/c9-8(10,11)7-3-1-6(5-12)2-4-7/h6-7H,1-5,12H2.
What are the key properties of [4-(trifluoromethyl)cyclohexyl]methanamine?
[4-(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 [4-(trifluoromethyl)cyclohexyl]methanamine is sourced from PubChem (CID 22337633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).