1-(3-chloro-4-methylphenyl)-2,3-difluorobenzene

C13H9ClF2 — CID 134625893

IUPAC1-(3-chloro-4-methylphenyl)-2,3-difluorobenzene
SMILESCc1ccc(-c2cccc(F)c2F)cc1Cl
InChIInChI=1S/C13H9ClF2/c1-8-5-6-9(7-11(8)14)10-3-2-4-12(15)13(10)16/h2-7H,1H3
InChIKeyYPDFKUDXZJPFQH-UHFFFAOYSA-N
MW238.66 g/mol
LogP4.59
Rot. Bonds1

About 1-(3-chloro-4-methylphenyl)-2,3-difluorobenzene

1-(3-chloro-4-methylphenyl)-2,3-difluorobenzene (PubChem CID 134625893) has the molecular formula C13H9ClF2 and a molecular weight of 238.66 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-2,3-difluorobenzene.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-2,3-difluorobenzene
PubChem CID134625893
Molecular FormulaC13H9ClF2
Molecular Weight238.66 g/mol
Exact Mass238.04
IUPAC Name1-(3-chloro-4-methylphenyl)-2,3-difluorobenzene
SMILESCc1ccc(-c2cccc(F)c2F)cc1Cl
InChIInChI=1S/C13H9ClF2/c1-8-5-6-9(7-11(8)14)10-3-2-4-12(15)13(10)16/h2-7H,1H3
InChIKeyYPDFKUDXZJPFQH-UHFFFAOYSA-N
XLogP4.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.66
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-difluoro-3-(4-fluoro-3-methylphenyl)benzene
CID 134627237
1,2-difluoro-3-[4-[4-(4-methylphenyl)phenyl]phenyl]benzene
CID 118910762
N-[1-[2-chloro-4-(2,3-difluorophenyl)phenyl]ethyl]propan-1-amine
CID 82772141
1-(4-chloro-3-methylphenyl)-2,3-difluoro-4-(2-fluorophenyl)benzene
CID 54264737
2-chloro-4-(4-chloro-2-methylphenyl)-1-methylbenzene
CID 70919846
5-(2,3-difluorophenyl)-2-fluoro-N,N-dimethylaniline
CID 134631671
1-chloro-2-fluoro-3-[3-fluoro-4-(4-methylphenyl)phenyl]benzene
CID 58058665
2-chloro-4-(3-fluoro-2-methylphenyl)benzoic acid
CID 53225530
2-(4-chloro-3-methylphenyl)-6-fluorobenzoic acid
CID 53226778
4-(2,3-difluorophenyl)-2-fluorobenzoic acid
CID 53225927
[2-(3-chloro-4-methylphenyl)phenyl]methanamine
CID 115504087
2-(3-chloro-4-methylphenyl)benzaldehyde
CID 115504091

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-2,3-difluorobenzene?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-2,3-difluorobenzene (CID 134625893) is 1-(3-chloro-4-methylphenyl)-2,3-difluorobenzene.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-2,3-difluorobenzene?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-2,3-difluorobenzene is Cc1ccc(-c2cccc(F)c2F)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-2,3-difluorobenzene?
The InChIKey is YPDFKUDXZJPFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF2/c1-8-5-6-9(7-11(8)14)10-3-2-4-12(15)13(10)16/h2-7H,1H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-2,3-difluorobenzene?
1-(3-chloro-4-methylphenyl)-2,3-difluorobenzene has a molecular weight of 238.66 g/mol, XLogP of 4.59, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-2,3-difluorobenzene is sourced from PubChem (CID 134625893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).