4,5-difluoro-1-propan-2-ylcyclohexa-1,3-diene

C9H12F2 — CID 166850843

IUPAC4,5-difluoro-1-propan-2-ylcyclohexa-1,3-diene
SMILESCC(C)C1=CC=C(F)C(F)C1
InChIInChI=1S/C9H12F2/c1-6(2)7-3-4-8(10)9(11)5-7/h3-4,6,9H,5H2,1-2H3
InChIKeyOGCZBTMAARFHCA-UHFFFAOYSA-N
MW158.19 g/mol
LogP3.16
Rot. Bonds1

About 4,5-difluoro-1-propan-2-ylcyclohexa-1,3-diene

4,5-difluoro-1-propan-2-ylcyclohexa-1,3-diene (PubChem CID 166850843) has the molecular formula C9H12F2 and a molecular weight of 158.19 g/mol. Its IUPAC name is 4,5-difluoro-1-propan-2-ylcyclohexa-1,3-diene.

Molecular Properties

Compound Name4,5-difluoro-1-propan-2-ylcyclohexa-1,3-diene
PubChem CID166850843
Molecular FormulaC9H12F2
Molecular Weight158.19 g/mol
Exact Mass158.09
IUPAC Name4,5-difluoro-1-propan-2-ylcyclohexa-1,3-diene
SMILESCC(C)C1=CC=C(F)C(F)C1
InChIInChI=1S/C9H12F2/c1-6(2)7-3-4-8(10)9(11)5-7/h3-4,6,9H,5H2,1-2H3
InChIKeyOGCZBTMAARFHCA-UHFFFAOYSA-N
XLogP3.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.19
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4,5-difluoro-1-propan-2-ylcyclohexa-1,3-diene 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

5-methyl-1,4-di(propan-2-yl)cyclohexa-1,3-diene
CID 143629883
4-chloro-5-methyl-1-propan-2-ylcyclohexa-1,3-diene
CID 175631703
4,5-difluoro-1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexa-1,3-diene
CID 126627033
(6S)-1,4,5,6-tetrafluorocyclohexa-1,3-diene
CID 155000957
4-fluoro-1-propan-2-ylcyclohexene
CID 69179605
(5-propan-2-ylcyclohexa-2,4-dien-1-yl)benzene
CID 175695810
1-(2,3-dimethylbutan-2-yl)-4-propan-2-ylcyclohexa-1,3-diene
CID 123737639
5-fluoro-1-propan-2-ylcycloheptene
CID 170182234
1-(difluoromethoxy)-4-propan-2-ylcyclohexa-1,3-diene
CID 163393623
(6S)-2,5-difluoro-7-methylbicyclo[4.1.1]octa-2,4-diene
CID 89121593
tris(1-propan-2-ylcyclopenta-1,3-diene);terbium
CID 174728130
5-propan-2-yl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
CID 556585

Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-1-propan-2-ylcyclohexa-1,3-diene?
The IUPAC name of 4,5-difluoro-1-propan-2-ylcyclohexa-1,3-diene (CID 166850843) is 4,5-difluoro-1-propan-2-ylcyclohexa-1,3-diene.
What is the SMILES notation for 4,5-difluoro-1-propan-2-ylcyclohexa-1,3-diene?
The canonical SMILES for 4,5-difluoro-1-propan-2-ylcyclohexa-1,3-diene is CC(C)C1=CC=C(F)C(F)C1.
What is the InChIKey of 4,5-difluoro-1-propan-2-ylcyclohexa-1,3-diene?
The InChIKey is OGCZBTMAARFHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2/c1-6(2)7-3-4-8(10)9(11)5-7/h3-4,6,9H,5H2,1-2H3.
What are the key properties of 4,5-difluoro-1-propan-2-ylcyclohexa-1,3-diene?
4,5-difluoro-1-propan-2-ylcyclohexa-1,3-diene has a molecular weight of 158.19 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-1-propan-2-ylcyclohexa-1,3-diene is sourced from PubChem (CID 166850843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).