4-ethyl-1-(trifluoromethyl)cyclohexan-1-amine

C9H16F3N — CID 63898478

IUPAC4-ethyl-1-(trifluoromethyl)cyclohexan-1-amine
SMILESCCC1CCC(N)(C(F)(F)F)CC1
InChIInChI=1S/C9H16F3N/c1-2-7-3-5-8(13,6-4-7)9(10,11)12/h7H,2-6,13H2,1H3
InChIKeyRVFBKDOEHBQNRL-UHFFFAOYSA-N
MW195.23 g/mol
LogP2.85
Rot. Bonds1

About 4-ethyl-1-(trifluoromethyl)cyclohexan-1-amine

4-ethyl-1-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 63898478) has the molecular formula C9H16F3N and a molecular weight of 195.23 g/mol. Its IUPAC name is 4-ethyl-1-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-1-(trifluoromethyl)cyclohexan-1-amine
PubChem CID63898478
Molecular FormulaC9H16F3N
Molecular Weight195.23 g/mol
Exact Mass195.12
IUPAC Name4-ethyl-1-(trifluoromethyl)cyclohexan-1-amine
SMILESCCC1CCC(N)(C(F)(F)F)CC1
InChIInChI=1S/C9H16F3N/c1-2-7-3-5-8(13,6-4-7)9(10,11)12/h7H,2-6,13H2,1H3
InChIKeyRVFBKDOEHBQNRL-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 4-ethyl-1-(trifluoromethyl)cyclohexan-1-amine (CID 63898478) is 4-ethyl-1-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-1-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 4-ethyl-1-(trifluoromethyl)cyclohexan-1-amine is CCC1CCC(N)(C(F)(F)F)CC1.
What is the InChIKey of 4-ethyl-1-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is RVFBKDOEHBQNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N/c1-2-7-3-5-8(13,6-4-7)9(10,11)12/h7H,2-6,13H2,1H3.
What are the key properties of 4-ethyl-1-(trifluoromethyl)cyclohexan-1-amine?
4-ethyl-1-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 195.23 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 63898478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).