2-[3-(trifluoromethyl)cyclohexylidene]ethanamine

C9H14F3N — CID 77052952

IUPAC2-[3-(trifluoromethyl)cyclohexylidene]ethanamine
SMILESNCC=C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C9H14F3N/c10-9(11,12)8-3-1-2-7(6-8)4-5-13/h4,8H,1-3,5-6,13H2
InChIKeyVQMIZAFUGKVLTI-UHFFFAOYSA-N
MW193.21 g/mol
LogP2.62
Rot. Bonds1

About 2-[3-(trifluoromethyl)cyclohexylidene]ethanamine

2-[3-(trifluoromethyl)cyclohexylidene]ethanamine (PubChem CID 77052952) has the molecular formula C9H14F3N and a molecular weight of 193.21 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)cyclohexylidene]ethanamine.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)cyclohexylidene]ethanamine
PubChem CID77052952
Molecular FormulaC9H14F3N
Molecular Weight193.21 g/mol
Exact Mass193.11
IUPAC Name2-[3-(trifluoromethyl)cyclohexylidene]ethanamine
SMILESNCC=C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C9H14F3N/c10-9(11,12)8-3-1-2-7(6-8)4-5-13/h4,8H,1-3,5-6,13H2
InChIKeyVQMIZAFUGKVLTI-UHFFFAOYSA-N
XLogP2.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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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
3,6-Bis(trifluoromethyl)cyclohex-2-en-1-amine
CID 143827541
(1S,6S)-6-methyl-3-(trifluoromethyl)cyclohex-3-en-1-amine
CID 146525161
(E)-5-methyl-3-(trifluoromethyl)hex-2-en-1-amine
CID 147139697
(3Z)-3-[3-(trifluoromethyl)cyclohexylidene]propan-1-amine
CID 64758252
2-[4-(Trifluoromethyl)cyclohexylidene]ethanamine
CID 64759976
3-[4-(Trifluoromethyl)cyclohexylidene]propan-1-amine
CID 64759977
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
2-[4-(Trifluoromethyl)cyclohexen-1-yl]ethanamine
CID 84664628

Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)cyclohexylidene]ethanamine?
The IUPAC name of 2-[3-(trifluoromethyl)cyclohexylidene]ethanamine (CID 77052952) is 2-[3-(trifluoromethyl)cyclohexylidene]ethanamine.
What is the SMILES notation for 2-[3-(trifluoromethyl)cyclohexylidene]ethanamine?
The canonical SMILES for 2-[3-(trifluoromethyl)cyclohexylidene]ethanamine is NCC=C1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2-[3-(trifluoromethyl)cyclohexylidene]ethanamine?
The InChIKey is VQMIZAFUGKVLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N/c10-9(11,12)8-3-1-2-7(6-8)4-5-13/h4,8H,1-3,5-6,13H2.
What are the key properties of 2-[3-(trifluoromethyl)cyclohexylidene]ethanamine?
2-[3-(trifluoromethyl)cyclohexylidene]ethanamine has a molecular weight of 193.21 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)cyclohexylidene]ethanamine is sourced from PubChem (CID 77052952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).