3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine

C7H8F3N — CID 70669625

IUPAC3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
SMILESNC1=CC(C(F)(F)F)=CCC1
InChIInChI=1S/C7H8F3N/c8-7(9,10)5-2-1-3-6(11)4-5/h2,4H,1,3,11H2
InChIKeyOXEOJZRGTFIIRK-UHFFFAOYSA-N
MW163.14 g/mol
LogP2.11
Rot. Bonds

About 3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine

3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine (PubChem CID 70669625) has the molecular formula C7H8F3N and a molecular weight of 163.14 g/mol. Its IUPAC name is 3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
PubChem CID70669625
Molecular FormulaC7H8F3N
Molecular Weight163.14 g/mol
Exact Mass163.06
IUPAC Name3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
SMILESNC1=CC(C(F)(F)F)=CCC1
InChIInChI=1S/C7H8F3N/c8-7(9,10)5-2-1-3-6(11)4-5/h2,4H,1,3,11H2
InChIKeyOXEOJZRGTFIIRK-UHFFFAOYSA-N
XLogP2.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine?
The IUPAC name of 3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine (CID 70669625) is 3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine?
The canonical SMILES for 3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine is NC1=CC(C(F)(F)F)=CCC1.
What is the InChIKey of 3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine?
The InChIKey is OXEOJZRGTFIIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N/c8-7(9,10)5-2-1-3-6(11)4-5/h2,4H,1,3,11H2.
What are the key properties of 3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine?
3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine has a molecular weight of 163.14 g/mol, XLogP of 2.11, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 70669625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).