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

C8H7ClF2O — CID 23317018

IUPAC1-chloro-3-(difluoromethoxy)-2-methylbenzene
SMILESCc1c(Cl)cccc1OC(F)F
InChIInChI=1S/C8H7ClF2O/c1-5-6(9)3-2-4-7(5)12-8(10)11/h2-4,8H,1H3
InChIKeyHYMGVMDSZXIUHP-UHFFFAOYSA-N
MW192.59 g/mol
LogP3.25
Rot. Bonds2

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

1-chloro-3-(difluoromethoxy)-2-methylbenzene (PubChem CID 23317018) has the molecular formula C8H7ClF2O and a molecular weight of 192.59 g/mol. Its IUPAC name is 1-chloro-3-(difluoromethoxy)-2-methylbenzene.

Molecular Properties

Compound Name1-chloro-3-(difluoromethoxy)-2-methylbenzene
PubChem CID23317018
Molecular FormulaC8H7ClF2O
Molecular Weight192.59 g/mol
Exact Mass192.02
IUPAC Name1-chloro-3-(difluoromethoxy)-2-methylbenzene
SMILESCc1c(Cl)cccc1OC(F)F
InChIInChI=1S/C8H7ClF2O/c1-5-6(9)3-2-4-7(5)12-8(10)11/h2-4,8H,1H3
InChIKeyHYMGVMDSZXIUHP-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

4-Chloro-2-methylanisole
CID 76748
1-Chloro-4-methoxy-2-methylbenzene
CID 458156
3-Chloro-2-methylanisole
CID 76749
2-Chloro-6-methoxybenzonitrile
CID 81055
2-(Chloromethyl)anisole
CID 81495
1-Methoxy-2-(trifluoromethyl)benzene
CID 2775251
2-Chloro-4-methoxytoluene
CID 6951757
1-chloro-2-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 15578704
1-Methoxy-2-(nonafluorobutyl)benzene
CID 15373487
4-Chloro-3-(trifluoromethyl)anisole
CID 2773853
1-Chloro-3-(trifluoromethoxy)benzene
CID 2777270
4-Chloro-2-ethynyl-1-methoxybenzene
CID 23260703

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(difluoromethoxy)-2-methylbenzene?
The IUPAC name of 1-chloro-3-(difluoromethoxy)-2-methylbenzene (CID 23317018) is 1-chloro-3-(difluoromethoxy)-2-methylbenzene.
What is the SMILES notation for 1-chloro-3-(difluoromethoxy)-2-methylbenzene?
The canonical SMILES for 1-chloro-3-(difluoromethoxy)-2-methylbenzene is Cc1c(Cl)cccc1OC(F)F.
What is the InChIKey of 1-chloro-3-(difluoromethoxy)-2-methylbenzene?
The InChIKey is HYMGVMDSZXIUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF2O/c1-5-6(9)3-2-4-7(5)12-8(10)11/h2-4,8H,1H3.
What are the key properties of 1-chloro-3-(difluoromethoxy)-2-methylbenzene?
1-chloro-3-(difluoromethoxy)-2-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 1-chloro-3-(difluoromethoxy)-2-methylbenzene is sourced from PubChem (CID 23317018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).