2-chloro-1-(difluoromethoxy)-3-methylbenzene

C8H7ClF2O — CID 66835879

IUPAC2-chloro-1-(difluoromethoxy)-3-methylbenzene
SMILESCc1cccc(OC(F)F)c1Cl
InChIInChI=1S/C8H7ClF2O/c1-5-3-2-4-6(7(5)9)12-8(10)11/h2-4,8H,1H3
InChIKeyWLSYKRPWDFQJSL-UHFFFAOYSA-N
MW192.59 g/mol
LogP3.25
Rot. Bonds2

About 2-chloro-1-(difluoromethoxy)-3-methylbenzene

2-chloro-1-(difluoromethoxy)-3-methylbenzene (PubChem CID 66835879) has the molecular formula C8H7ClF2O and a molecular weight of 192.59 g/mol. Its IUPAC name is 2-chloro-1-(difluoromethoxy)-3-methylbenzene.

Molecular Properties

Compound Name2-chloro-1-(difluoromethoxy)-3-methylbenzene
PubChem CID66835879
Molecular FormulaC8H7ClF2O
Molecular Weight192.59 g/mol
Exact Mass192.02
IUPAC Name2-chloro-1-(difluoromethoxy)-3-methylbenzene
SMILESCc1cccc(OC(F)F)c1Cl
InChIInChI=1S/C8H7ClF2O/c1-5-3-2-4-6(7(5)9)12-8(10)11/h2-4,8H,1H3
InChIKeyWLSYKRPWDFQJSL-UHFFFAOYSA-N
XLogP3.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.59
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Chloro-2-methoxy-4-methylbenzene
CID 99352
3-(Trifluoromethyl)anisole
CID 96691
1-Chloro-4-methoxy-2-methylbenzene
CID 458156
3-Chloro-4-methoxytoluene
CID 140873
4-Chloro-3,5-dimethylanisole
CID 598497
4-Chloro-3-(trifluoromethyl)anisole
CID 2773853
3-Chloro-2-fluoro-5-(trifluoromethyl)anisole
CID 2773741
1-Chloro-2-methoxy-4-(trifluoromethyl)benzene
CID 2773852
2-Chloro-6-fluoro-3-methoxybenzonitrile
CID 17750817
1-Chloro-4-(difluoromethoxy)-2-ethylbenzene
CID 2119406
1-Chloro-2-(trifluoromethoxy)-4-(trifluoromethyl)benzene
CID 13648549
1-Chloro-2-ethynyl-4-methoxybenzene
CID 63034201

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(difluoromethoxy)-3-methylbenzene?
The IUPAC name of 2-chloro-1-(difluoromethoxy)-3-methylbenzene (CID 66835879) is 2-chloro-1-(difluoromethoxy)-3-methylbenzene.
What is the SMILES notation for 2-chloro-1-(difluoromethoxy)-3-methylbenzene?
The canonical SMILES for 2-chloro-1-(difluoromethoxy)-3-methylbenzene is Cc1cccc(OC(F)F)c1Cl.
What is the InChIKey of 2-chloro-1-(difluoromethoxy)-3-methylbenzene?
The InChIKey is WLSYKRPWDFQJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF2O/c1-5-3-2-4-6(7(5)9)12-8(10)11/h2-4,8H,1H3.
What are the key properties of 2-chloro-1-(difluoromethoxy)-3-methylbenzene?
2-chloro-1-(difluoromethoxy)-3-methylbenzene has a molecular weight of 192.59 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(difluoromethoxy)-3-methylbenzene is sourced from PubChem (CID 66835879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).