(E)-3-cyclohexyl-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine

C11H18F3N — CID 138563760

IUPAC(E)-3-cyclohexyl-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine
SMILESFC(F)(F)CNC/C=C/C1CCCCC1
InChIInChI=1S/C11H18F3N/c12-11(13,14)9-15-8-4-7-10-5-2-1-3-6-10/h4,7,10,15H,1-3,5-6,8-9H2/b7-4+
InChIKeyDONDRHBYZUDGKF-QPJJXVBHSA-N
MW221.27 g/mol
LogP3.27
Rot. Bonds4

About (E)-3-cyclohexyl-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine

(E)-3-cyclohexyl-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine (PubChem CID 138563760) has the molecular formula C11H18F3N and a molecular weight of 221.27 g/mol. Its IUPAC name is (E)-3-cyclohexyl-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-cyclohexyl-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine
PubChem CID138563760
Molecular FormulaC11H18F3N
Molecular Weight221.27 g/mol
Exact Mass221.14
IUPAC Name(E)-3-cyclohexyl-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine
SMILESFC(F)(F)CNC/C=C/C1CCCCC1
InChIInChI=1S/C11H18F3N/c12-11(13,14)9-15-8-4-7-10-5-2-1-3-6-10/h4,7,10,15H,1-3,5-6,8-9H2/b7-4+
InChIKeyDONDRHBYZUDGKF-QPJJXVBHSA-N
XLogP3.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-cyclohexyl-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine?
The IUPAC name of (E)-3-cyclohexyl-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine (CID 138563760) is (E)-3-cyclohexyl-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-cyclohexyl-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine?
The canonical SMILES for (E)-3-cyclohexyl-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine is FC(F)(F)CNC/C=C/C1CCCCC1.
What is the InChIKey of (E)-3-cyclohexyl-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine?
The InChIKey is DONDRHBYZUDGKF-QPJJXVBHSA-N. The full InChI is InChI=1S/C11H18F3N/c12-11(13,14)9-15-8-4-7-10-5-2-1-3-6-10/h4,7,10,15H,1-3,5-6,8-9H2/b7-4+.
What are the key properties of (E)-3-cyclohexyl-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine?
(E)-3-cyclohexyl-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine has a molecular weight of 221.27 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-cyclohexyl-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine is sourced from PubChem (CID 138563760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).