3-[2-(trifluoromethyl)phenyl]cyclohex-2-en-1-amine

C13H14F3N — CID 65171992

IUPAC3-[2-(trifluoromethyl)phenyl]cyclohex-2-en-1-amine
SMILESNC1C=C(c2ccccc2C(F)(F)F)CCC1
InChIInChI=1S/C13H14F3N/c14-13(15,16)12-7-2-1-6-11(12)9-4-3-5-10(17)8-9/h1-2,6-8,10H,3-5,17H2
InChIKeyACZUAEAHQWVAQA-UHFFFAOYSA-N
MW241.26 g/mol
LogP3.60
Rot. Bonds1

About 3-[2-(trifluoromethyl)phenyl]cyclohex-2-en-1-amine

3-[2-(trifluoromethyl)phenyl]cyclohex-2-en-1-amine (PubChem CID 65171992) has the molecular formula C13H14F3N and a molecular weight of 241.26 g/mol. Its IUPAC name is 3-[2-(trifluoromethyl)phenyl]cyclohex-2-en-1-amine.

Molecular Properties

Compound Name3-[2-(trifluoromethyl)phenyl]cyclohex-2-en-1-amine
PubChem CID65171992
Molecular FormulaC13H14F3N
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Name3-[2-(trifluoromethyl)phenyl]cyclohex-2-en-1-amine
SMILESNC1C=C(c2ccccc2C(F)(F)F)CCC1
InChIInChI=1S/C13H14F3N/c14-13(15,16)12-7-2-1-6-11(12)9-4-3-5-10(17)8-9/h1-2,6-8,10H,3-5,17H2
InChIKeyACZUAEAHQWVAQA-UHFFFAOYSA-N
XLogP3.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chlorocyclohexen-1-yl)-2-(trifluoromethyl)benzene
CID 65177010
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
3-(2,3-dihydro-1-benzofuran-7-yl)cyclohex-2-en-1-amine
CID 114746986
3-(3-fluorophenyl)cyclohex-2-en-1-amine
CID 65171853
2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62007715
3-[4-(2-fluorophenyl)phenyl]cyclopent-2-en-1-amine
CID 82298492
3-(5-fluoro-2-methylphenyl)cyclohept-2-en-1-amine
CID 107383087
5-[2-(trifluoromethyl)phenyl]-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole
CID 144718375
(1R)-5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 156594473
6-butyl-4-[2-(trifluoromethyl)phenyl]-2,3-dihydropyridine
CID 174904999
trans-(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 94603912
trans-(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopentan-1-amine
CID 94603915

Frequently Asked Questions

What is the IUPAC name of 3-[2-(trifluoromethyl)phenyl]cyclohex-2-en-1-amine?
The IUPAC name of 3-[2-(trifluoromethyl)phenyl]cyclohex-2-en-1-amine (CID 65171992) is 3-[2-(trifluoromethyl)phenyl]cyclohex-2-en-1-amine.
What is the SMILES notation for 3-[2-(trifluoromethyl)phenyl]cyclohex-2-en-1-amine?
The canonical SMILES for 3-[2-(trifluoromethyl)phenyl]cyclohex-2-en-1-amine is NC1C=C(c2ccccc2C(F)(F)F)CCC1.
What is the InChIKey of 3-[2-(trifluoromethyl)phenyl]cyclohex-2-en-1-amine?
The InChIKey is ACZUAEAHQWVAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N/c14-13(15,16)12-7-2-1-6-11(12)9-4-3-5-10(17)8-9/h1-2,6-8,10H,3-5,17H2.
What are the key properties of 3-[2-(trifluoromethyl)phenyl]cyclohex-2-en-1-amine?
3-[2-(trifluoromethyl)phenyl]cyclohex-2-en-1-amine has a molecular weight of 241.26 g/mol, XLogP of 3.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(trifluoromethyl)phenyl]cyclohex-2-en-1-amine is sourced from PubChem (CID 65171992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).