2-[4-(trifluoromethyl)cyclohexen-1-yl]ethanamine

C9H14F3N — CID 84664628

IUPAC2-[4-(trifluoromethyl)cyclohexen-1-yl]ethanamine
SMILESNCCC1=CCC(C(F)(F)F)CC1
InChIInChI=1S/C9H14F3N/c10-9(11,12)8-3-1-7(2-4-8)5-6-13/h1,8H,2-6,13H2
InChIKeyGDDZPYWAPHGQIH-UHFFFAOYSA-N
MW193.21 g/mol
LogP2.62
Rot. Bonds2

About 2-[4-(trifluoromethyl)cyclohexen-1-yl]ethanamine

2-[4-(trifluoromethyl)cyclohexen-1-yl]ethanamine (PubChem CID 84664628) has the molecular formula C9H14F3N and a molecular weight of 193.21 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)cyclohexen-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)cyclohexen-1-yl]ethanamine
PubChem CID84664628
Molecular FormulaC9H14F3N
Molecular Weight193.21 g/mol
Exact Mass193.11
IUPAC Name2-[4-(trifluoromethyl)cyclohexen-1-yl]ethanamine
SMILESNCCC1=CCC(C(F)(F)F)CC1
InChIInChI=1S/C9H14F3N/c10-9(11,12)8-3-1-7(2-4-8)5-6-13/h1,8H,2-6,13H2
InChIKeyGDDZPYWAPHGQIH-UHFFFAOYSA-N
XLogP2.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)cyclohexen-1-yl]ethanamine?
The IUPAC name of 2-[4-(trifluoromethyl)cyclohexen-1-yl]ethanamine (CID 84664628) is 2-[4-(trifluoromethyl)cyclohexen-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(trifluoromethyl)cyclohexen-1-yl]ethanamine?
The canonical SMILES for 2-[4-(trifluoromethyl)cyclohexen-1-yl]ethanamine is NCCC1=CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-[4-(trifluoromethyl)cyclohexen-1-yl]ethanamine?
The InChIKey is GDDZPYWAPHGQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N/c10-9(11,12)8-3-1-7(2-4-8)5-6-13/h1,8H,2-6,13H2.
What are the key properties of 2-[4-(trifluoromethyl)cyclohexen-1-yl]ethanamine?
2-[4-(trifluoromethyl)cyclohexen-1-yl]ethanamine has a molecular weight of 193.21 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)cyclohexen-1-yl]ethanamine is sourced from PubChem (CID 84664628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).