(3Z)-3-[3-(trifluoromethyl)cyclohexylidene]propan-1-amine

C10H16F3N — CID 64758252

IUPAC(3Z)-3-[3-(trifluoromethyl)cyclohexylidene]propan-1-amine
SMILESNCC/C=C1/CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H16F3N/c11-10(12,13)9-5-1-3-8(7-9)4-2-6-14/h4,9H,1-3,5-7,14H2/b8-4-
InChIKeyLXIYOOINRFSTSD-YWEYNIOJSA-N
MW207.24 g/mol
LogP3.01
Rot. Bonds2

About (3Z)-3-[3-(trifluoromethyl)cyclohexylidene]propan-1-amine

(3Z)-3-[3-(trifluoromethyl)cyclohexylidene]propan-1-amine (PubChem CID 64758252) has the molecular formula C10H16F3N and a molecular weight of 207.24 g/mol. Its IUPAC name is (3Z)-3-[3-(trifluoromethyl)cyclohexylidene]propan-1-amine.

Molecular Properties

Compound Name(3Z)-3-[3-(trifluoromethyl)cyclohexylidene]propan-1-amine
PubChem CID64758252
Molecular FormulaC10H16F3N
Molecular Weight207.24 g/mol
Exact Mass207.12
IUPAC Name(3Z)-3-[3-(trifluoromethyl)cyclohexylidene]propan-1-amine
SMILESNCC/C=C1/CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H16F3N/c11-10(12,13)9-5-1-3-8(7-9)4-2-6-14/h4,9H,1-3,5-7,14H2/b8-4-
InChIKeyLXIYOOINRFSTSD-YWEYNIOJSA-N
XLogP3.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3Z)-3-[3-(trifluoromethyl)cyclohexylidene]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-(Trifluoromethyl)cyclohexen-1-yl]methanamine
CID 89100068
(E)-3-cyclohexyl-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine
CID 138563760
ethylcyclohexane;(E)-3-methylpent-2-ene;2,2,2-trifluoroethanamine
CID 143682814
(1S,6S)-6-methyl-3-(trifluoromethyl)cyclohex-3-en-1-amine
CID 146525161
6-Propan-2-yl-3-(trifluoromethyl)cyclohex-3-en-1-amine
CID 178113924
3-(Difluoromethyl)-6-propan-2-ylcyclohex-3-en-1-amine
CID 178113943
2-[4-(Trifluoromethyl)cyclohexylidene]ethanamine
CID 64759976
3-[4-(Trifluoromethyl)cyclohexylidene]propan-1-amine
CID 64759977
2-[3-(Trifluoromethyl)cyclohexylidene]ethanamine
CID 77052952
3-[3-(Trifluoromethyl)cyclohexylidene]propan-1-amine
CID 77052953
[4-(Trifluoromethyl)cyclohex-3-en-1-yl]methanamine
CID 84022219
2-[4-(Trifluoromethyl)cyclohex-3-en-1-yl]ethanamine
CID 84023676

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[3-(trifluoromethyl)cyclohexylidene]propan-1-amine?
The IUPAC name of (3Z)-3-[3-(trifluoromethyl)cyclohexylidene]propan-1-amine (CID 64758252) is (3Z)-3-[3-(trifluoromethyl)cyclohexylidene]propan-1-amine.
What is the SMILES notation for (3Z)-3-[3-(trifluoromethyl)cyclohexylidene]propan-1-amine?
The canonical SMILES for (3Z)-3-[3-(trifluoromethyl)cyclohexylidene]propan-1-amine is NCC/C=C1/CCCC(C(F)(F)F)C1.
What is the InChIKey of (3Z)-3-[3-(trifluoromethyl)cyclohexylidene]propan-1-amine?
The InChIKey is LXIYOOINRFSTSD-YWEYNIOJSA-N. The full InChI is InChI=1S/C10H16F3N/c11-10(12,13)9-5-1-3-8(7-9)4-2-6-14/h4,9H,1-3,5-7,14H2/b8-4-.
What are the key properties of (3Z)-3-[3-(trifluoromethyl)cyclohexylidene]propan-1-amine?
(3Z)-3-[3-(trifluoromethyl)cyclohexylidene]propan-1-amine has a molecular weight of 207.24 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[3-(trifluoromethyl)cyclohexylidene]propan-1-amine is sourced from PubChem (CID 64758252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).