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

C7H8F3N — CID 67518760

IUPAC5-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
SMILESNC1=CC=CC(C(F)(F)F)C1
InChIInChI=1S/C7H8F3N/c8-7(9,10)5-2-1-3-6(11)4-5/h1-3,5H,4,11H2
InChIKeyPUVGYEMWDIGQBH-UHFFFAOYSA-N
MW163.14 g/mol
LogP1.97
Rot. Bonds

About 5-(trifluoromethyl)cyclohexa-1,3-dien-1-amine

5-(trifluoromethyl)cyclohexa-1,3-dien-1-amine (PubChem CID 67518760) has the molecular formula C7H8F3N and a molecular weight of 163.14 g/mol. Its IUPAC name is 5-(trifluoromethyl)cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name5-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
PubChem CID67518760
Molecular FormulaC7H8F3N
Molecular Weight163.14 g/mol
Exact Mass163.06
IUPAC Name5-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
SMILESNC1=CC=CC(C(F)(F)F)C1
InChIInChI=1S/C7H8F3N/c8-7(9,10)5-2-1-3-6(11)4-5/h1-3,5H,4,11H2
InChIKeyPUVGYEMWDIGQBH-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)cyclohexa-1,3-dien-1-amine?
The IUPAC name of 5-(trifluoromethyl)cyclohexa-1,3-dien-1-amine (CID 67518760) is 5-(trifluoromethyl)cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 5-(trifluoromethyl)cyclohexa-1,3-dien-1-amine?
The canonical SMILES for 5-(trifluoromethyl)cyclohexa-1,3-dien-1-amine is NC1=CC=CC(C(F)(F)F)C1.
What is the InChIKey of 5-(trifluoromethyl)cyclohexa-1,3-dien-1-amine?
The InChIKey is PUVGYEMWDIGQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N/c8-7(9,10)5-2-1-3-6(11)4-5/h1-3,5H,4,11H2.
What are the key properties of 5-(trifluoromethyl)cyclohexa-1,3-dien-1-amine?
5-(trifluoromethyl)cyclohexa-1,3-dien-1-amine has a molecular weight of 163.14 g/mol, XLogP of 1.97, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 67518760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).