2-chloro-1-(difluoromethoxy)-4-methylbenzene

C8H7ClF2O — CID 20765774

IUPAC2-chloro-1-(difluoromethoxy)-4-methylbenzene
SMILESCc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C8H7ClF2O/c1-5-2-3-7(6(9)4-5)12-8(10)11/h2-4,8H,1H3
InChIKeyPYTIPHTVYZLXJY-UHFFFAOYSA-N
MW192.59 g/mol
LogP3.25
Rot. Bonds2

About 2-chloro-1-(difluoromethoxy)-4-methylbenzene

2-chloro-1-(difluoromethoxy)-4-methylbenzene (PubChem CID 20765774) has the molecular formula C8H7ClF2O and a molecular weight of 192.59 g/mol. Its IUPAC name is 2-chloro-1-(difluoromethoxy)-4-methylbenzene.

Molecular Properties

Compound Name2-chloro-1-(difluoromethoxy)-4-methylbenzene
PubChem CID20765774
Molecular FormulaC8H7ClF2O
Molecular Weight192.59 g/mol
Exact Mass192.02
IUPAC Name2-chloro-1-(difluoromethoxy)-4-methylbenzene
SMILESCc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C8H7ClF2O/c1-5-2-3-7(6(9)4-5)12-8(10)11/h2-4,8H,1H3
InChIKeyPYTIPHTVYZLXJY-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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(difluoromethoxy)-4-methylbenzene?
The IUPAC name of 2-chloro-1-(difluoromethoxy)-4-methylbenzene (CID 20765774) is 2-chloro-1-(difluoromethoxy)-4-methylbenzene.
What is the SMILES notation for 2-chloro-1-(difluoromethoxy)-4-methylbenzene?
The canonical SMILES for 2-chloro-1-(difluoromethoxy)-4-methylbenzene is Cc1ccc(OC(F)F)c(Cl)c1.
What is the InChIKey of 2-chloro-1-(difluoromethoxy)-4-methylbenzene?
The InChIKey is PYTIPHTVYZLXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF2O/c1-5-2-3-7(6(9)4-5)12-8(10)11/h2-4,8H,1H3.
What are the key properties of 2-chloro-1-(difluoromethoxy)-4-methylbenzene?
2-chloro-1-(difluoromethoxy)-4-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)-4-methylbenzene is sourced from PubChem (CID 20765774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).