2-chloro-1,5-difluoro-3,4-dimethylbenzene

C8H7ClF2 — CID 143320030

IUPAC2-chloro-1,5-difluoro-3,4-dimethylbenzene
SMILESCc1c(F)cc(F)c(Cl)c1C
InChIInChI=1S/C8H7ClF2/c1-4-5(2)8(9)7(11)3-6(4)10/h3H,1-2H3
InChIKeyIFVMSWJKWBYAPI-UHFFFAOYSA-N
MW176.59 g/mol
LogP3.24
Rot. Bonds

About 2-chloro-1,5-difluoro-3,4-dimethylbenzene

2-chloro-1,5-difluoro-3,4-dimethylbenzene (PubChem CID 143320030) has the molecular formula C8H7ClF2 and a molecular weight of 176.59 g/mol. Its IUPAC name is 2-chloro-1,5-difluoro-3,4-dimethylbenzene.

Molecular Properties

Compound Name2-chloro-1,5-difluoro-3,4-dimethylbenzene
PubChem CID143320030
Molecular FormulaC8H7ClF2
Molecular Weight176.59 g/mol
Exact Mass176.02
IUPAC Name2-chloro-1,5-difluoro-3,4-dimethylbenzene
SMILESCc1c(F)cc(F)c(Cl)c1C
InChIInChI=1S/C8H7ClF2/c1-4-5(2)8(9)7(11)3-6(4)10/h3H,1-2H3
InChIKeyIFVMSWJKWBYAPI-UHFFFAOYSA-N
XLogP3.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.59
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-chloro-1,3,5-trifluoro-4-methylbenzene
CID 54150914
ethane;1,2,4,5-tetrafluoro-3-methylbenzene
CID 143259717
1,3-dichloro-4-fluoro-2-methylbenzene
CID 11830014
2,4-dichloro-1,5-difluoro-3-propan-2-ylbenzene
CID 155380165
3-chloro-2,4,6-trifluoroaniline
CID 71758632
1,5-dichloro-3-fluoro-2-methylbenzene;ethane
CID 142574555
3-chloro-4-fluoro-2-methyl-6-propylphenol
CID 154990205
(3-chloro-4-fluoro-2-methylphenyl)phosphane
CID 178005191
2,3-dichloro-4-ethyl-1,5-difluorobenzene
CID 155190047
5-chloro-3-fluoro-2-methylaniline
CID 18727792
1-(3-chloro-5-fluoro-2,4-dimethylphenyl)ethanamine
CID 84776597
1-chloro-2,4-difluoro-5-methylbenzene
CID 58691509

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,5-difluoro-3,4-dimethylbenzene?
The IUPAC name of 2-chloro-1,5-difluoro-3,4-dimethylbenzene (CID 143320030) is 2-chloro-1,5-difluoro-3,4-dimethylbenzene.
What is the SMILES notation for 2-chloro-1,5-difluoro-3,4-dimethylbenzene?
The canonical SMILES for 2-chloro-1,5-difluoro-3,4-dimethylbenzene is Cc1c(F)cc(F)c(Cl)c1C.
What is the InChIKey of 2-chloro-1,5-difluoro-3,4-dimethylbenzene?
The InChIKey is IFVMSWJKWBYAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF2/c1-4-5(2)8(9)7(11)3-6(4)10/h3H,1-2H3.
What are the key properties of 2-chloro-1,5-difluoro-3,4-dimethylbenzene?
2-chloro-1,5-difluoro-3,4-dimethylbenzene has a molecular weight of 176.59 g/mol, XLogP of 3.24, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,5-difluoro-3,4-dimethylbenzene is sourced from PubChem (CID 143320030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).