4-chloro-2-fluoro-1-(fluoromethoxy)benzene

C7H5ClF2O — CID 67335232

IUPAC4-chloro-2-fluoro-1-(fluoromethoxy)benzene
SMILESFCOc1ccc(Cl)cc1F
InChIInChI=1S/C7H5ClF2O/c8-5-1-2-7(11-4-9)6(10)3-5/h1-3H,4H2
InChIKeyCGBYUNBTDHCMSH-UHFFFAOYSA-N
MW178.56 g/mol
LogP2.78
Rot. Bonds2

About 4-chloro-2-fluoro-1-(fluoromethoxy)benzene

4-chloro-2-fluoro-1-(fluoromethoxy)benzene (PubChem CID 67335232) has the molecular formula C7H5ClF2O and a molecular weight of 178.56 g/mol. Its IUPAC name is 4-chloro-2-fluoro-1-(fluoromethoxy)benzene.

Molecular Properties

Compound Name4-chloro-2-fluoro-1-(fluoromethoxy)benzene
PubChem CID67335232
Molecular FormulaC7H5ClF2O
Molecular Weight178.56 g/mol
Exact Mass178.00
IUPAC Name4-chloro-2-fluoro-1-(fluoromethoxy)benzene
SMILESFCOc1ccc(Cl)cc1F
InChIInChI=1S/C7H5ClF2O/c8-5-1-2-7(11-4-9)6(10)3-5/h1-3H,4H2
InChIKeyCGBYUNBTDHCMSH-UHFFFAOYSA-N
XLogP2.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.56
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-1-(4-chloro-2-fluorophenoxy)-2-fluorobenzene
CID 142784638
1,2-dichloro-4-fluoro-5-(fluoromethoxy)benzene
CID 118824754
1-(4-chloro-2-fluorophenoxy)propan-2-amine
CID 83396709
O-(4-chloro-2-fluorophenyl)hydroxylamine
CID 130505440
5-chloro-1,3-difluoro-2-(fluoromethoxy)benzene
CID 130969013
4-chloro-1-(cyclobutylmethoxy)-2-fluorobenzene
CID 130161233
4-chloro-1-(4,4-dimethylpentoxy)-2-fluorobenzene
CID 142457826
2-(3-bromopropyl)-4-chloro-1-(fluoromethoxy)benzene
CID 118807576
bromozinc(1+);4-chloro-2-fluoro-1-(phenylmethoxy)benzene
CID 146002358
2-[(4-chloro-2-fluorophenoxy)methyl]azetidine
CID 84681387
1-[(2-bromophenyl)methoxy]-4-chloro-2-fluorobenzene
CID 146004192
2-[(4-chloro-2-fluorophenoxy)methyl]-1H-pyridin-4-one
CID 166496946

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-1-(fluoromethoxy)benzene?
The IUPAC name of 4-chloro-2-fluoro-1-(fluoromethoxy)benzene (CID 67335232) is 4-chloro-2-fluoro-1-(fluoromethoxy)benzene.
What is the SMILES notation for 4-chloro-2-fluoro-1-(fluoromethoxy)benzene?
The canonical SMILES for 4-chloro-2-fluoro-1-(fluoromethoxy)benzene is FCOc1ccc(Cl)cc1F.
What is the InChIKey of 4-chloro-2-fluoro-1-(fluoromethoxy)benzene?
The InChIKey is CGBYUNBTDHCMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF2O/c8-5-1-2-7(11-4-9)6(10)3-5/h1-3H,4H2.
What are the key properties of 4-chloro-2-fluoro-1-(fluoromethoxy)benzene?
4-chloro-2-fluoro-1-(fluoromethoxy)benzene has a molecular weight of 178.56 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-1-(fluoromethoxy)benzene is sourced from PubChem (CID 67335232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).