4-(trifluoromethyl)cyclohexen-1-amine

C7H10F3N — CID 89074199

IUPAC4-(trifluoromethyl)cyclohexen-1-amine
SMILESNC1=CCC(C(F)(F)F)CC1
InChIInChI=1S/C7H10F3N/c8-7(9,10)5-1-3-6(11)4-2-5/h3,5H,1-2,4,11H2
InChIKeyOEOQWMCBSVENCD-UHFFFAOYSA-N
MW165.16 g/mol
LogP2.19
Rot. Bonds

About 4-(trifluoromethyl)cyclohexen-1-amine

4-(trifluoromethyl)cyclohexen-1-amine (PubChem CID 89074199) has the molecular formula C7H10F3N and a molecular weight of 165.16 g/mol. Its IUPAC name is 4-(trifluoromethyl)cyclohexen-1-amine.

Molecular Properties

Compound Name4-(trifluoromethyl)cyclohexen-1-amine
PubChem CID89074199
Molecular FormulaC7H10F3N
Molecular Weight165.16 g/mol
Exact Mass165.08
IUPAC Name4-(trifluoromethyl)cyclohexen-1-amine
SMILESNC1=CCC(C(F)(F)F)CC1
InChIInChI=1S/C7H10F3N/c8-7(9,10)5-1-3-6(11)4-2-5/h3,5H,1-2,4,11H2
InChIKeyOEOQWMCBSVENCD-UHFFFAOYSA-N
XLogP2.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)cyclohexen-1-amine?
The IUPAC name of 4-(trifluoromethyl)cyclohexen-1-amine (CID 89074199) is 4-(trifluoromethyl)cyclohexen-1-amine.
What is the SMILES notation for 4-(trifluoromethyl)cyclohexen-1-amine?
The canonical SMILES for 4-(trifluoromethyl)cyclohexen-1-amine is NC1=CCC(C(F)(F)F)CC1.
What is the InChIKey of 4-(trifluoromethyl)cyclohexen-1-amine?
The InChIKey is OEOQWMCBSVENCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N/c8-7(9,10)5-1-3-6(11)4-2-5/h3,5H,1-2,4,11H2.
What are the key properties of 4-(trifluoromethyl)cyclohexen-1-amine?
4-(trifluoromethyl)cyclohexen-1-amine has a molecular weight of 165.16 g/mol, XLogP of 2.19, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)cyclohexen-1-amine is sourced from PubChem (CID 89074199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).