1-chloro-2-(difluoromethoxy)-4-fluoro-3-methylbenzene

C8H6ClF3O — CID 130836038

IUPAC1-chloro-2-(difluoromethoxy)-4-fluoro-3-methylbenzene
SMILESCc1c(F)ccc(Cl)c1OC(F)F
InChIInChI=1S/C8H6ClF3O/c1-4-6(10)3-2-5(9)7(4)13-8(11)12/h2-3,8H,1H3
InChIKeySUZIHGKENHIWSX-UHFFFAOYSA-N
MW210.58 g/mol
LogP3.39
Rot. Bonds2

About 1-chloro-2-(difluoromethoxy)-4-fluoro-3-methylbenzene

1-chloro-2-(difluoromethoxy)-4-fluoro-3-methylbenzene (PubChem CID 130836038) has the molecular formula C8H6ClF3O and a molecular weight of 210.58 g/mol. Its IUPAC name is 1-chloro-2-(difluoromethoxy)-4-fluoro-3-methylbenzene.

Molecular Properties

Compound Name1-chloro-2-(difluoromethoxy)-4-fluoro-3-methylbenzene
PubChem CID130836038
Molecular FormulaC8H6ClF3O
Molecular Weight210.58 g/mol
Exact Mass210.01
IUPAC Name1-chloro-2-(difluoromethoxy)-4-fluoro-3-methylbenzene
SMILESCc1c(F)ccc(Cl)c1OC(F)F
InChIInChI=1S/C8H6ClF3O/c1-4-6(10)3-2-5(9)7(4)13-8(11)12/h2-3,8H,1H3
InChIKeySUZIHGKENHIWSX-UHFFFAOYSA-N
XLogP3.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.58
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(difluoromethoxy)-4-fluoro-3-methylbenzene?
The IUPAC name of 1-chloro-2-(difluoromethoxy)-4-fluoro-3-methylbenzene (CID 130836038) is 1-chloro-2-(difluoromethoxy)-4-fluoro-3-methylbenzene.
What is the SMILES notation for 1-chloro-2-(difluoromethoxy)-4-fluoro-3-methylbenzene?
The canonical SMILES for 1-chloro-2-(difluoromethoxy)-4-fluoro-3-methylbenzene is Cc1c(F)ccc(Cl)c1OC(F)F.
What is the InChIKey of 1-chloro-2-(difluoromethoxy)-4-fluoro-3-methylbenzene?
The InChIKey is SUZIHGKENHIWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3O/c1-4-6(10)3-2-5(9)7(4)13-8(11)12/h2-3,8H,1H3.
What are the key properties of 1-chloro-2-(difluoromethoxy)-4-fluoro-3-methylbenzene?
1-chloro-2-(difluoromethoxy)-4-fluoro-3-methylbenzene has a molecular weight of 210.58 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(difluoromethoxy)-4-fluoro-3-methylbenzene is sourced from PubChem (CID 130836038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).