(1R)-3-(1,1-difluoroethyl)cyclohexa-2,4-dien-1-amine

C8H11F2N — CID 89410890

IUPAC(1R)-3-(1,1-difluoroethyl)cyclohexa-2,4-dien-1-amine
SMILESCC(F)(F)C1=C[C@H](N)CC=C1
InChIInChI=1S/C8H11F2N/c1-8(9,10)6-3-2-4-7(11)5-6/h2-3,5,7H,4,11H2,1H3/t7-/m1/s1
InChIKeyIJGYLLPSSJZIJP-SSDOTTSWSA-N
MW159.18 g/mol
LogP1.86
Rot. Bonds1

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

(1R)-3-(1,1-difluoroethyl)cyclohexa-2,4-dien-1-amine (PubChem CID 89410890) has the molecular formula C8H11F2N and a molecular weight of 159.18 g/mol. Its IUPAC name is (1R)-3-(1,1-difluoroethyl)cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name(1R)-3-(1,1-difluoroethyl)cyclohexa-2,4-dien-1-amine
PubChem CID89410890
Molecular FormulaC8H11F2N
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name(1R)-3-(1,1-difluoroethyl)cyclohexa-2,4-dien-1-amine
SMILESCC(F)(F)C1=C[C@H](N)CC=C1
InChIInChI=1S/C8H11F2N/c1-8(9,10)6-3-2-4-7(11)5-6/h2-3,5,7H,4,11H2,1H3/t7-/m1/s1
InChIKeyIJGYLLPSSJZIJP-SSDOTTSWSA-N
XLogP1.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1R)-3-(1,1-difluoroethyl)cyclohexa-2,4-dien-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R)-3-(1,1-difluoroethyl)cyclohexa-2,4-dien-1-amine?
The IUPAC name of (1R)-3-(1,1-difluoroethyl)cyclohexa-2,4-dien-1-amine (CID 89410890) is (1R)-3-(1,1-difluoroethyl)cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for (1R)-3-(1,1-difluoroethyl)cyclohexa-2,4-dien-1-amine?
The canonical SMILES for (1R)-3-(1,1-difluoroethyl)cyclohexa-2,4-dien-1-amine is CC(F)(F)C1=C[C@H](N)CC=C1.
What is the InChIKey of (1R)-3-(1,1-difluoroethyl)cyclohexa-2,4-dien-1-amine?
The InChIKey is IJGYLLPSSJZIJP-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H11F2N/c1-8(9,10)6-3-2-4-7(11)5-6/h2-3,5,7H,4,11H2,1H3/t7-/m1/s1.
What are the key properties of (1R)-3-(1,1-difluoroethyl)cyclohexa-2,4-dien-1-amine?
(1R)-3-(1,1-difluoroethyl)cyclohexa-2,4-dien-1-amine has a molecular weight of 159.18 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-(1,1-difluoroethyl)cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 89410890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).