1-(2-ethylcyclohexyl)-4,4,4-trifluorobutan-1-amine

C12H22F3N — CID 79952895

IUPAC1-(2-ethylcyclohexyl)-4,4,4-trifluorobutan-1-amine
SMILESCCC1CCCCC1C(N)CCC(F)(F)F
InChIInChI=1S/C12H22F3N/c1-2-9-5-3-4-6-10(9)11(16)7-8-12(13,14)15/h9-11H,2-8,16H2,1H3
InChIKeyVZNRKXPXVSMSJP-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.87
Rot. Bonds4

About 1-(2-ethylcyclohexyl)-4,4,4-trifluorobutan-1-amine

1-(2-ethylcyclohexyl)-4,4,4-trifluorobutan-1-amine (PubChem CID 79952895) has the molecular formula C12H22F3N and a molecular weight of 237.31 g/mol. Its IUPAC name is 1-(2-ethylcyclohexyl)-4,4,4-trifluorobutan-1-amine.

Molecular Properties

Compound Name1-(2-ethylcyclohexyl)-4,4,4-trifluorobutan-1-amine
PubChem CID79952895
Molecular FormulaC12H22F3N
Molecular Weight237.31 g/mol
Exact Mass237.17
IUPAC Name1-(2-ethylcyclohexyl)-4,4,4-trifluorobutan-1-amine
SMILESCCC1CCCCC1C(N)CCC(F)(F)F
InChIInChI=1S/C12H22F3N/c1-2-9-5-3-4-6-10(9)11(16)7-8-12(13,14)15/h9-11H,2-8,16H2,1H3
InChIKeyVZNRKXPXVSMSJP-UHFFFAOYSA-N
XLogP3.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylcyclohexyl)-4,4,4-trifluorobutan-1-amine?
The IUPAC name of 1-(2-ethylcyclohexyl)-4,4,4-trifluorobutan-1-amine (CID 79952895) is 1-(2-ethylcyclohexyl)-4,4,4-trifluorobutan-1-amine.
What is the SMILES notation for 1-(2-ethylcyclohexyl)-4,4,4-trifluorobutan-1-amine?
The canonical SMILES for 1-(2-ethylcyclohexyl)-4,4,4-trifluorobutan-1-amine is CCC1CCCCC1C(N)CCC(F)(F)F.
What is the InChIKey of 1-(2-ethylcyclohexyl)-4,4,4-trifluorobutan-1-amine?
The InChIKey is VZNRKXPXVSMSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N/c1-2-9-5-3-4-6-10(9)11(16)7-8-12(13,14)15/h9-11H,2-8,16H2,1H3.
What are the key properties of 1-(2-ethylcyclohexyl)-4,4,4-trifluorobutan-1-amine?
1-(2-ethylcyclohexyl)-4,4,4-trifluorobutan-1-amine has a molecular weight of 237.31 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylcyclohexyl)-4,4,4-trifluorobutan-1-amine is sourced from PubChem (CID 79952895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).