(1S)-4,5-difluoro-2,6-dimethylcyclohepta-2,4-dien-1-amine

C9H13F2N — CID 138573024

IUPAC(1S)-4,5-difluoro-2,6-dimethylcyclohepta-2,4-dien-1-amine
SMILESCC1=CC(F)=C(F)C(C)C[C@@H]1N
InChIInChI=1S/C9H13F2N/c1-5-3-7(10)9(11)6(2)4-8(5)12/h3,6,8H,4,12H2,1-2H3/t6?,8-/m0/s1
InChIKeyQHBZHXXFKMQKOZ-XDKWHASVSA-N
MW173.21 g/mol
LogP2.45
Rot. Bonds

About (1S)-4,5-difluoro-2,6-dimethylcyclohepta-2,4-dien-1-amine

(1S)-4,5-difluoro-2,6-dimethylcyclohepta-2,4-dien-1-amine (PubChem CID 138573024) has the molecular formula C9H13F2N and a molecular weight of 173.21 g/mol. Its IUPAC name is (1S)-4,5-difluoro-2,6-dimethylcyclohepta-2,4-dien-1-amine.

Molecular Properties

Compound Name(1S)-4,5-difluoro-2,6-dimethylcyclohepta-2,4-dien-1-amine
PubChem CID138573024
Molecular FormulaC9H13F2N
Molecular Weight173.21 g/mol
Exact Mass173.10
IUPAC Name(1S)-4,5-difluoro-2,6-dimethylcyclohepta-2,4-dien-1-amine
SMILESCC1=CC(F)=C(F)C(C)C[C@@H]1N
InChIInChI=1S/C9H13F2N/c1-5-3-7(10)9(11)6(2)4-8(5)12/h3,6,8H,4,12H2,1-2H3/t6?,8-/m0/s1
InChIKeyQHBZHXXFKMQKOZ-XDKWHASVSA-N
XLogP2.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1S)-4,5-difluoro-2,6-dimethylcyclohepta-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

Related Compounds

3-Fluoro-4-methyl-6-propan-2-ylcyclohexa-2,4-dien-1-amine
CID 68028129
1-[(5R)-2-fluoro-5-methylcyclohexa-1,3-dien-1-yl]ethanamine
CID 89318381
(5-Fluoro-3-methylcyclohepta-1,6-dien-1-yl)methanamine
CID 91099450
1-(3,4,5-Trifluorocyclohexa-2,4-dien-1-yl)butan-1-amine
CID 91359749
(1S)-1-(4-fluorocyclohexa-1,3-dien-1-yl)ethanamine
CID 117900783
4-ethyl-3-fluoro-N,6-dimethylcyclohepta-2,4-dien-1-amine
CID 123988716
2-(Aminomethyl)-6-methyl-5-(2,2,2-trifluoroethyl)cyclohexa-2,4-dien-1-amine
CID 124095358
(2Z,4S)-5,5-difluoro-4-methyl-2-prop-2-enylidenehexane-1,3-diamine
CID 124095514
1-[6-Fluoro-6-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]ethanamine
CID 124095866
(5E,7Z,9Z)-7-[3-fluoro-2-(fluoromethyl)propyl]-2-methylundeca-1,5,7,9-tetraen-4-amine
CID 130286458
trans-(1R,2S)-2-[(3E,5E)-4,5-difluorohepta-1,3,5-trien-2-yl]cyclopropan-1-amine
CID 132236142
1-[4-Butan-2-yl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethanamine
CID 135190369

Frequently Asked Questions

What is the IUPAC name of (1S)-4,5-difluoro-2,6-dimethylcyclohepta-2,4-dien-1-amine?
The IUPAC name of (1S)-4,5-difluoro-2,6-dimethylcyclohepta-2,4-dien-1-amine (CID 138573024) is (1S)-4,5-difluoro-2,6-dimethylcyclohepta-2,4-dien-1-amine.
What is the SMILES notation for (1S)-4,5-difluoro-2,6-dimethylcyclohepta-2,4-dien-1-amine?
The canonical SMILES for (1S)-4,5-difluoro-2,6-dimethylcyclohepta-2,4-dien-1-amine is CC1=CC(F)=C(F)C(C)C[C@@H]1N.
What is the InChIKey of (1S)-4,5-difluoro-2,6-dimethylcyclohepta-2,4-dien-1-amine?
The InChIKey is QHBZHXXFKMQKOZ-XDKWHASVSA-N. The full InChI is InChI=1S/C9H13F2N/c1-5-3-7(10)9(11)6(2)4-8(5)12/h3,6,8H,4,12H2,1-2H3/t6?,8-/m0/s1.
What are the key properties of (1S)-4,5-difluoro-2,6-dimethylcyclohepta-2,4-dien-1-amine?
(1S)-4,5-difluoro-2,6-dimethylcyclohepta-2,4-dien-1-amine has a molecular weight of 173.21 g/mol, XLogP of 2.45, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-4,5-difluoro-2,6-dimethylcyclohepta-2,4-dien-1-amine is sourced from PubChem (CID 138573024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).