2-chloro-3-(difluoromethyl)-1-fluoro-4-methoxybenzene

C8H6ClF3O — CID 121365017

IUPAC2-chloro-3-(difluoromethyl)-1-fluoro-4-methoxybenzene
SMILESCOc1ccc(F)c(Cl)c1C(F)F
InChIInChI=1S/C8H6ClF3O/c1-13-5-3-2-4(10)7(9)6(5)8(11)12/h2-3,8H,1H3
InChIKeyAVUIYYGQCGNFGD-UHFFFAOYSA-N
MW210.58 g/mol
LogP3.43
Rot. Bonds2

About 2-chloro-3-(difluoromethyl)-1-fluoro-4-methoxybenzene

2-chloro-3-(difluoromethyl)-1-fluoro-4-methoxybenzene (PubChem CID 121365017) has the molecular formula C8H6ClF3O and a molecular weight of 210.58 g/mol. Its IUPAC name is 2-chloro-3-(difluoromethyl)-1-fluoro-4-methoxybenzene.

Molecular Properties

Compound Name2-chloro-3-(difluoromethyl)-1-fluoro-4-methoxybenzene
PubChem CID121365017
Molecular FormulaC8H6ClF3O
Molecular Weight210.58 g/mol
Exact Mass210.01
IUPAC Name2-chloro-3-(difluoromethyl)-1-fluoro-4-methoxybenzene
SMILESCOc1ccc(F)c(Cl)c1C(F)F
InChIInChI=1S/C8H6ClF3O/c1-13-5-3-2-4(10)7(9)6(5)8(11)12/h2-3,8H,1H3
InChIKeyAVUIYYGQCGNFGD-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-Chloro-2-methylanisole
CID 76748
3-Chloro-2-methylanisole
CID 76749
2-Chloro-6-methoxybenzonitrile
CID 81055
1-Methoxy-2-(trifluoromethyl)benzene
CID 2775251
2-Chloro-4-methoxytoluene
CID 6951757
4-Chloro-3-(trifluoromethyl)anisole
CID 2773853
2-(Chloromethyl)-3,4-difluoro-1-methoxybenzene
CID 59309611
2-(Chloromethyl)-4-fluoro-1-methoxybenzene
CID 302686
3-Chloro-2-fluoro-5-(trifluoromethyl)anisole
CID 2773741
1-(Chloromethyl)-2-(trifluoromethoxy)benzene
CID 4656677
1-Chloro-4-(difluoromethoxy)-2-ethylbenzene
CID 2119406
1-(Difluoromethyl)-2-methoxybenzene
CID 59635359

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(difluoromethyl)-1-fluoro-4-methoxybenzene?
The IUPAC name of 2-chloro-3-(difluoromethyl)-1-fluoro-4-methoxybenzene (CID 121365017) is 2-chloro-3-(difluoromethyl)-1-fluoro-4-methoxybenzene.
What is the SMILES notation for 2-chloro-3-(difluoromethyl)-1-fluoro-4-methoxybenzene?
The canonical SMILES for 2-chloro-3-(difluoromethyl)-1-fluoro-4-methoxybenzene is COc1ccc(F)c(Cl)c1C(F)F.
What is the InChIKey of 2-chloro-3-(difluoromethyl)-1-fluoro-4-methoxybenzene?
The InChIKey is AVUIYYGQCGNFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3O/c1-13-5-3-2-4(10)7(9)6(5)8(11)12/h2-3,8H,1H3.
What are the key properties of 2-chloro-3-(difluoromethyl)-1-fluoro-4-methoxybenzene?
2-chloro-3-(difluoromethyl)-1-fluoro-4-methoxybenzene has a molecular weight of 210.58 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(difluoromethyl)-1-fluoro-4-methoxybenzene is sourced from PubChem (CID 121365017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).