5-chloro-1,3-difluoro-2-(fluoromethoxy)benzene

C7H4ClF3O — CID 130969013

IUPAC5-chloro-1,3-difluoro-2-(fluoromethoxy)benzene
SMILESFCOc1c(F)cc(Cl)cc1F
InChIInChI=1S/C7H4ClF3O/c8-4-1-5(10)7(12-3-9)6(11)2-4/h1-2H,3H2
InChIKeyHARCVYBAHVMFQN-UHFFFAOYSA-N
MW196.56 g/mol
LogP2.92
Rot. Bonds2

About 5-chloro-1,3-difluoro-2-(fluoromethoxy)benzene

5-chloro-1,3-difluoro-2-(fluoromethoxy)benzene (PubChem CID 130969013) has the molecular formula C7H4ClF3O and a molecular weight of 196.56 g/mol. Its IUPAC name is 5-chloro-1,3-difluoro-2-(fluoromethoxy)benzene.

Molecular Properties

Compound Name5-chloro-1,3-difluoro-2-(fluoromethoxy)benzene
PubChem CID130969013
Molecular FormulaC7H4ClF3O
Molecular Weight196.56 g/mol
Exact Mass195.99
IUPAC Name5-chloro-1,3-difluoro-2-(fluoromethoxy)benzene
SMILESFCOc1c(F)cc(Cl)cc1F
InChIInChI=1S/C7H4ClF3O/c8-4-1-5(10)7(12-3-9)6(11)2-4/h1-2H,3H2
InChIKeyHARCVYBAHVMFQN-UHFFFAOYSA-N
XLogP2.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.56
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,5-dichloro-3-fluoro-2-(fluoromethoxy)benzene
CID 118847258
4-chloro-2-fluoro-1-(fluoromethoxy)benzene
CID 67335232
1-chloro-2,4-difluoro-3-(fluoromethoxy)benzene
CID 130776713
1,3-difluoro-2-(fluoromethoxy)benzene
CID 140973526
1,5-dichloro-2-(fluoromethoxy)-3-methylbenzene
CID 130766678
5-chloro-2-[3-(4-chloro-2-fluoro-6-methylphenoxy)propoxy]-1-fluoro-3-methylbenzene
CID 123438097
5-chloro-1,3-difluoro-2-(fluoromethyl)benzene
CID 130776716
1,3,5-trifluoro-2-(fluoromethoxy)-4-methoxybenzene
CID 131191321
1,2-dichloro-4-fluoro-5-(fluoromethoxy)benzene
CID 118824754
1-(bromomethyl)-5-chloro-3-fluoro-2-methoxybenzene
CID 131593007
2-[(4-chloro-2-fluorophenyl)methoxy]-5-(chloromethyl)-1,3-difluorobenzene
CID 114850377
1-bromo-5-chloro-3-fluoro-2-methoxybenzene
CID 3863039

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,3-difluoro-2-(fluoromethoxy)benzene?
The IUPAC name of 5-chloro-1,3-difluoro-2-(fluoromethoxy)benzene (CID 130969013) is 5-chloro-1,3-difluoro-2-(fluoromethoxy)benzene.
What is the SMILES notation for 5-chloro-1,3-difluoro-2-(fluoromethoxy)benzene?
The canonical SMILES for 5-chloro-1,3-difluoro-2-(fluoromethoxy)benzene is FCOc1c(F)cc(Cl)cc1F.
What is the InChIKey of 5-chloro-1,3-difluoro-2-(fluoromethoxy)benzene?
The InChIKey is HARCVYBAHVMFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF3O/c8-4-1-5(10)7(12-3-9)6(11)2-4/h1-2H,3H2.
What are the key properties of 5-chloro-1,3-difluoro-2-(fluoromethoxy)benzene?
5-chloro-1,3-difluoro-2-(fluoromethoxy)benzene has a molecular weight of 196.56 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,3-difluoro-2-(fluoromethoxy)benzene is sourced from PubChem (CID 130969013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).