5-chloro-1,3-difluoro-2-prop-1-en-2-ylbenzene

C9H7ClF2 — CID 171522333

IUPAC5-chloro-1,3-difluoro-2-prop-1-en-2-ylbenzene
SMILESC=C(C)c1c(F)cc(Cl)cc1F
InChIInChI=1S/C9H7ClF2/c1-5(2)9-7(11)3-6(10)4-8(9)12/h3-4H,1H2,2H3
InChIKeyKLHXGZGQCWSMSA-UHFFFAOYSA-N
MW188.60 g/mol
LogP3.65
Rot. Bonds1

About 5-chloro-1,3-difluoro-2-prop-1-en-2-ylbenzene

5-chloro-1,3-difluoro-2-prop-1-en-2-ylbenzene (PubChem CID 171522333) has the molecular formula C9H7ClF2 and a molecular weight of 188.60 g/mol. Its IUPAC name is 5-chloro-1,3-difluoro-2-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name5-chloro-1,3-difluoro-2-prop-1-en-2-ylbenzene
PubChem CID171522333
Molecular FormulaC9H7ClF2
Molecular Weight188.60 g/mol
Exact Mass188.02
IUPAC Name5-chloro-1,3-difluoro-2-prop-1-en-2-ylbenzene
SMILESC=C(C)c1c(F)cc(Cl)cc1F
InChIInChI=1S/C9H7ClF2/c1-5(2)9-7(11)3-6(10)4-8(9)12/h3-4H,1H2,2H3
InChIKeyKLHXGZGQCWSMSA-UHFFFAOYSA-N
XLogP3.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.60
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 5-chloro-1,3-difluoro-2-prop-1-en-2-ylbenzene 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

4-chloro-2,6-difluorobenzamide
CID 22478130
1,4-difluoro-2-methyl-3-prop-1-en-2-ylbenzene
CID 166532604
4-chloro-2-fluoro-6-methoxybenzoic acid
CID 53399475
1-(4-chloro-2-fluorophenyl)-2-methylprop-2-en-1-amine
CID 79180085
5-bromo-1-fluoro-3-methoxy-2-prop-1-en-2-ylbenzene
CID 168883109
1-(4-chloro-2-fluorophenyl)-3-methylbut-3-en-1-ol
CID 79177590
1-(2,4-dichloro-6-fluorophenyl)butan-1-one
CID 130067754
3-chloro-5-prop-1-en-2-ylphenol
CID 84653274
4-chloro-2,6-difluoro-N-methylaniline
CID 21161260
2-bromo-5-chloro-1,3-difluorobenzene
CID 2761407
1-(4-chloro-2-fluorophenyl)-2-methyl-N-propylprop-2-en-1-amine
CID 79177275
4-chloro-2-ethenyl-6-fluorophenol
CID 89379565

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,3-difluoro-2-prop-1-en-2-ylbenzene?
The IUPAC name of 5-chloro-1,3-difluoro-2-prop-1-en-2-ylbenzene (CID 171522333) is 5-chloro-1,3-difluoro-2-prop-1-en-2-ylbenzene.
What is the SMILES notation for 5-chloro-1,3-difluoro-2-prop-1-en-2-ylbenzene?
The canonical SMILES for 5-chloro-1,3-difluoro-2-prop-1-en-2-ylbenzene is C=C(C)c1c(F)cc(Cl)cc1F.
What is the InChIKey of 5-chloro-1,3-difluoro-2-prop-1-en-2-ylbenzene?
The InChIKey is KLHXGZGQCWSMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF2/c1-5(2)9-7(11)3-6(10)4-8(9)12/h3-4H,1H2,2H3.
What are the key properties of 5-chloro-1,3-difluoro-2-prop-1-en-2-ylbenzene?
5-chloro-1,3-difluoro-2-prop-1-en-2-ylbenzene has a molecular weight of 188.60 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,3-difluoro-2-prop-1-en-2-ylbenzene is sourced from PubChem (CID 171522333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).