1-[4-(trifluoromethyl)cyclohexyl]ethanamine

C9H16F3N — CID 66436540

IUPAC1-[4-(trifluoromethyl)cyclohexyl]ethanamine
SMILESCC(N)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C9H16F3N/c1-6(13)7-2-4-8(5-3-7)9(10,11)12/h6-8H,2-5,13H2,1H3
InChIKeyFOZSBVXHRTVIJA-UHFFFAOYSA-N
MW195.23 g/mol
LogP2.70
Rot. Bonds1

About 1-[4-(trifluoromethyl)cyclohexyl]ethanamine

1-[4-(trifluoromethyl)cyclohexyl]ethanamine (PubChem CID 66436540) has the molecular formula C9H16F3N and a molecular weight of 195.23 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)cyclohexyl]ethanamine.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)cyclohexyl]ethanamine
PubChem CID66436540
Molecular FormulaC9H16F3N
Molecular Weight195.23 g/mol
Exact Mass195.12
IUPAC Name1-[4-(trifluoromethyl)cyclohexyl]ethanamine
SMILESCC(N)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C9H16F3N/c1-6(13)7-2-4-8(5-3-7)9(10,11)12/h6-8H,2-5,13H2,1H3
InChIKeyFOZSBVXHRTVIJA-UHFFFAOYSA-N
XLogP2.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)cyclohexyl]ethanamine?
The IUPAC name of 1-[4-(trifluoromethyl)cyclohexyl]ethanamine (CID 66436540) is 1-[4-(trifluoromethyl)cyclohexyl]ethanamine.
What is the SMILES notation for 1-[4-(trifluoromethyl)cyclohexyl]ethanamine?
The canonical SMILES for 1-[4-(trifluoromethyl)cyclohexyl]ethanamine is CC(N)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-[4-(trifluoromethyl)cyclohexyl]ethanamine?
The InChIKey is FOZSBVXHRTVIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N/c1-6(13)7-2-4-8(5-3-7)9(10,11)12/h6-8H,2-5,13H2,1H3.
What are the key properties of 1-[4-(trifluoromethyl)cyclohexyl]ethanamine?
1-[4-(trifluoromethyl)cyclohexyl]ethanamine has a molecular weight of 195.23 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)cyclohexyl]ethanamine is sourced from PubChem (CID 66436540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).