1-chloro-2-fluoro-4-(3-fluorophenoxy)benzene

C12H7ClF2O — CID 121472039

IUPAC1-chloro-2-fluoro-4-(3-fluorophenoxy)benzene
SMILESFc1cccc(Oc2ccc(Cl)c(F)c2)c1
InChIInChI=1S/C12H7ClF2O/c13-11-5-4-10(7-12(11)15)16-9-3-1-2-8(14)6-9/h1-7H
InChIKeyGNDGYPMBTCLMAG-UHFFFAOYSA-N
MW240.64 g/mol
LogP4.41
Rot. Bonds2

About 1-chloro-2-fluoro-4-(3-fluorophenoxy)benzene

1-chloro-2-fluoro-4-(3-fluorophenoxy)benzene (PubChem CID 121472039) has the molecular formula C12H7ClF2O and a molecular weight of 240.64 g/mol. Its IUPAC name is 1-chloro-2-fluoro-4-(3-fluorophenoxy)benzene.

Molecular Properties

Compound Name1-chloro-2-fluoro-4-(3-fluorophenoxy)benzene
PubChem CID121472039
Molecular FormulaC12H7ClF2O
Molecular Weight240.64 g/mol
Exact Mass240.02
IUPAC Name1-chloro-2-fluoro-4-(3-fluorophenoxy)benzene
SMILESFc1cccc(Oc2ccc(Cl)c(F)c2)c1
InChIInChI=1S/C12H7ClF2O/c13-11-5-4-10(7-12(11)15)16-9-3-1-2-8(14)6-9/h1-7H
InChIKeyGNDGYPMBTCLMAG-UHFFFAOYSA-N
XLogP4.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.64
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-2-fluoro-4-(3-methylphenoxy)benzene
CID 91481927
1,4-bis[3-(3-fluorophenoxy)phenoxy]benzene
CID 22338391
1-[3-(4-chloro-3-fluorophenoxy)phenyl]ethanamine
CID 82716269
4-chloro-5-fluoro-2-(3-fluorophenoxy)aniline
CID 114089137
2-fluoro-4-(3-fluorophenoxy)benzoic acid
CID 177076537
1-[3-(4-chloro-3-fluorophenoxy)phenyl]butan-2-amine
CID 82727397
1-fluoro-3-(3-iodophenoxy)benzene
CID 118960389
1-fluoro-3-(4-methylsulfanylphenoxy)benzene
CID 138722497
2-fluoro-5-(3-fluorophenoxy)benzoic acid
CID 170721916
2,3,5-trichloro-6-(3-fluorophenoxy)pyridine
CID 102749547
2-[2-chloro-6-(3-fluorophenoxy)phenyl]ethanamine
CID 55238754
1-fluoro-3-(3-fluorophenoxy)-5-methylbenzene
CID 54548242

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-fluoro-4-(3-fluorophenoxy)benzene?
The IUPAC name of 1-chloro-2-fluoro-4-(3-fluorophenoxy)benzene (CID 121472039) is 1-chloro-2-fluoro-4-(3-fluorophenoxy)benzene.
What is the SMILES notation for 1-chloro-2-fluoro-4-(3-fluorophenoxy)benzene?
The canonical SMILES for 1-chloro-2-fluoro-4-(3-fluorophenoxy)benzene is Fc1cccc(Oc2ccc(Cl)c(F)c2)c1.
What is the InChIKey of 1-chloro-2-fluoro-4-(3-fluorophenoxy)benzene?
The InChIKey is GNDGYPMBTCLMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF2O/c13-11-5-4-10(7-12(11)15)16-9-3-1-2-8(14)6-9/h1-7H.
What are the key properties of 1-chloro-2-fluoro-4-(3-fluorophenoxy)benzene?
1-chloro-2-fluoro-4-(3-fluorophenoxy)benzene has a molecular weight of 240.64 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-fluoro-4-(3-fluorophenoxy)benzene is sourced from PubChem (CID 121472039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).