1-chloro-2-(difluoromethoxy)-4-methyl-3-(trifluoromethyl)benzene

C9H6ClF5O — CID 171004207

IUPAC1-chloro-2-(difluoromethoxy)-4-methyl-3-(trifluoromethyl)benzene
SMILESCc1ccc(Cl)c(OC(F)F)c1C(F)(F)F
InChIInChI=1S/C9H6ClF5O/c1-4-2-3-5(10)7(16-8(11)12)6(4)9(13,14)15/h2-3,8H,1H3
InChIKeyGOXWYKVBBVCDGX-UHFFFAOYSA-N
MW260.59 g/mol
LogP4.27
Rot. Bonds2

About 1-chloro-2-(difluoromethoxy)-4-methyl-3-(trifluoromethyl)benzene

1-chloro-2-(difluoromethoxy)-4-methyl-3-(trifluoromethyl)benzene (PubChem CID 171004207) has the molecular formula C9H6ClF5O and a molecular weight of 260.59 g/mol. Its IUPAC name is 1-chloro-2-(difluoromethoxy)-4-methyl-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-chloro-2-(difluoromethoxy)-4-methyl-3-(trifluoromethyl)benzene
PubChem CID171004207
Molecular FormulaC9H6ClF5O
Molecular Weight260.59 g/mol
Exact Mass260.00
IUPAC Name1-chloro-2-(difluoromethoxy)-4-methyl-3-(trifluoromethyl)benzene
SMILESCc1ccc(Cl)c(OC(F)F)c1C(F)(F)F
InChIInChI=1S/C9H6ClF5O/c1-4-2-3-5(10)7(16-8(11)12)6(4)9(13,14)15/h2-3,8H,1H3
InChIKeyGOXWYKVBBVCDGX-UHFFFAOYSA-N
XLogP4.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.59
LogP ≤ 54.27
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-methyl-3-(trifluoromethyl)benzene?
The IUPAC name of 1-chloro-2-(difluoromethoxy)-4-methyl-3-(trifluoromethyl)benzene (CID 171004207) is 1-chloro-2-(difluoromethoxy)-4-methyl-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-chloro-2-(difluoromethoxy)-4-methyl-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-chloro-2-(difluoromethoxy)-4-methyl-3-(trifluoromethyl)benzene is Cc1ccc(Cl)c(OC(F)F)c1C(F)(F)F.
What is the InChIKey of 1-chloro-2-(difluoromethoxy)-4-methyl-3-(trifluoromethyl)benzene?
The InChIKey is GOXWYKVBBVCDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF5O/c1-4-2-3-5(10)7(16-8(11)12)6(4)9(13,14)15/h2-3,8H,1H3.
What are the key properties of 1-chloro-2-(difluoromethoxy)-4-methyl-3-(trifluoromethyl)benzene?
1-chloro-2-(difluoromethoxy)-4-methyl-3-(trifluoromethyl)benzene has a molecular weight of 260.59 g/mol, XLogP of 4.27, 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-methyl-3-(trifluoromethyl)benzene is sourced from PubChem (CID 171004207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).