3-(trifluoromethyl)cyclohexa-2,4-dien-1-amine

C7H8F3N — CID 89018271

IUPAC3-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
SMILESNC1C=C(C(F)(F)F)C=CC1
InChIInChI=1S/C7H8F3N/c8-7(9,10)5-2-1-3-6(11)4-5/h1-2,4,6H,3,11H2
InChIKeyPNPLYJNLLVYKIW-UHFFFAOYSA-N
MW163.14 g/mol
LogP1.76
Rot. Bonds

About 3-(trifluoromethyl)cyclohexa-2,4-dien-1-amine

3-(trifluoromethyl)cyclohexa-2,4-dien-1-amine (PubChem CID 89018271) has the molecular formula C7H8F3N and a molecular weight of 163.14 g/mol. Its IUPAC name is 3-(trifluoromethyl)cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name3-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
PubChem CID89018271
Molecular FormulaC7H8F3N
Molecular Weight163.14 g/mol
Exact Mass163.06
IUPAC Name3-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
SMILESNC1C=C(C(F)(F)F)C=CC1
InChIInChI=1S/C7H8F3N/c8-7(9,10)5-2-1-3-6(11)4-5/h1-2,4,6H,3,11H2
InChIKeyPNPLYJNLLVYKIW-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1H-Anilin
CID 15267068
2-Methyleneaniline
CID 70393655
1-Cyclohexa-1,5-dien-1-ylethanamine
CID 91106318
2-Fluoro-2-methylaniline
CID 22273309
2,2-Dichloro-4-trifluoromethylaniline
CID 22617144
6-Fluorocyclohexa-2,4-dien-1-amine
CID 23505185
5,6-Difluorocyclohexa-2,4-dien-1-amine
CID 23505194
6-(Trifluoromethyl)cyclohexa-2,4-dien-1-amine
CID 23505215
6-Methyl-6-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
CID 67321718
3-Fluoro-4-methylcyclohexa-2,4-dien-1-amine
CID 67710936
1-Fluorocyclohexa-3,5-diene-1,2-diamine
CID 67851145
4-Fluorocyclohexa-2,4-dien-1-amine
CID 68016326

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)cyclohexa-2,4-dien-1-amine?
The IUPAC name of 3-(trifluoromethyl)cyclohexa-2,4-dien-1-amine (CID 89018271) is 3-(trifluoromethyl)cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 3-(trifluoromethyl)cyclohexa-2,4-dien-1-amine?
The canonical SMILES for 3-(trifluoromethyl)cyclohexa-2,4-dien-1-amine is NC1C=C(C(F)(F)F)C=CC1.
What is the InChIKey of 3-(trifluoromethyl)cyclohexa-2,4-dien-1-amine?
The InChIKey is PNPLYJNLLVYKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N/c8-7(9,10)5-2-1-3-6(11)4-5/h1-2,4,6H,3,11H2.
What are the key properties of 3-(trifluoromethyl)cyclohexa-2,4-dien-1-amine?
3-(trifluoromethyl)cyclohexa-2,4-dien-1-amine has a molecular weight of 163.14 g/mol, XLogP of 1.76, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 89018271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).