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

C7H8F3N — CID 139797290

IUPAC1-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
SMILESNC1(C(F)(F)F)C=CC=CC1
InChIInChI=1S/C7H8F3N/c8-7(9,10)6(11)4-2-1-3-5-6/h1-4H,5,11H2
InChIKeyLRGYCIVBSNCIOJ-UHFFFAOYSA-N
MW163.14 g/mol
LogP1.76
Rot. Bonds

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

1-(trifluoromethyl)cyclohexa-2,4-dien-1-amine (PubChem CID 139797290) has the molecular formula C7H8F3N and a molecular weight of 163.14 g/mol. Its IUPAC name is 1-(trifluoromethyl)cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name1-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
PubChem CID139797290
Molecular FormulaC7H8F3N
Molecular Weight163.14 g/mol
Exact Mass163.06
IUPAC Name1-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
SMILESNC1(C(F)(F)F)C=CC=CC1
InChIInChI=1S/C7H8F3N/c8-7(9,10)6(11)4-2-1-3-5-6/h1-4H,5,11H2
InChIKeyLRGYCIVBSNCIOJ-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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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)cyclohexa-2,4-dien-1-amine?
The IUPAC name of 1-(trifluoromethyl)cyclohexa-2,4-dien-1-amine (CID 139797290) is 1-(trifluoromethyl)cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 1-(trifluoromethyl)cyclohexa-2,4-dien-1-amine?
The canonical SMILES for 1-(trifluoromethyl)cyclohexa-2,4-dien-1-amine is NC1(C(F)(F)F)C=CC=CC1.
What is the InChIKey of 1-(trifluoromethyl)cyclohexa-2,4-dien-1-amine?
The InChIKey is LRGYCIVBSNCIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N/c8-7(9,10)6(11)4-2-1-3-5-6/h1-4H,5,11H2.
What are the key properties of 1-(trifluoromethyl)cyclohexa-2,4-dien-1-amine?
1-(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 1-(trifluoromethyl)cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 139797290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).