1-[4-(trifluoromethyl)cyclohexyl]propan-1-amine

C10H18F3N — CID 79307361

IUPAC1-[4-(trifluoromethyl)cyclohexyl]propan-1-amine
SMILESCCC(N)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H18F3N/c1-2-9(14)7-3-5-8(6-4-7)10(11,12)13/h7-9H,2-6,14H2,1H3
InChIKeyGXCDSCRIBSMFOT-UHFFFAOYSA-N
MW209.25 g/mol
LogP3.09
Rot. Bonds2

About 1-[4-(trifluoromethyl)cyclohexyl]propan-1-amine

1-[4-(trifluoromethyl)cyclohexyl]propan-1-amine (PubChem CID 79307361) has the molecular formula C10H18F3N and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)cyclohexyl]propan-1-amine.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)cyclohexyl]propan-1-amine
PubChem CID79307361
Molecular FormulaC10H18F3N
Molecular Weight209.25 g/mol
Exact Mass209.14
IUPAC Name1-[4-(trifluoromethyl)cyclohexyl]propan-1-amine
SMILESCCC(N)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H18F3N/c1-2-9(14)7-3-5-8(6-4-7)10(11,12)13/h7-9H,2-6,14H2,1H3
InChIKeyGXCDSCRIBSMFOT-UHFFFAOYSA-N
XLogP3.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 53.09
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]propan-1-amine?
The IUPAC name of 1-[4-(trifluoromethyl)cyclohexyl]propan-1-amine (CID 79307361) is 1-[4-(trifluoromethyl)cyclohexyl]propan-1-amine.
What is the SMILES notation for 1-[4-(trifluoromethyl)cyclohexyl]propan-1-amine?
The canonical SMILES for 1-[4-(trifluoromethyl)cyclohexyl]propan-1-amine is CCC(N)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-[4-(trifluoromethyl)cyclohexyl]propan-1-amine?
The InChIKey is GXCDSCRIBSMFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N/c1-2-9(14)7-3-5-8(6-4-7)10(11,12)13/h7-9H,2-6,14H2,1H3.
What are the key properties of 1-[4-(trifluoromethyl)cyclohexyl]propan-1-amine?
1-[4-(trifluoromethyl)cyclohexyl]propan-1-amine has a molecular weight of 209.25 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)cyclohexyl]propan-1-amine is sourced from PubChem (CID 79307361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).