3,5-difluoro-4-[(4-fluorophenyl)methoxy]benzoic acid

C14H9F3O3 — CID 79887700

IUPAC3,5-difluoro-4-[(4-fluorophenyl)methoxy]benzoic acid
SMILESO=C(O)c1cc(F)c(OCc2ccc(F)cc2)c(F)c1
InChIInChI=1S/C14H9F3O3/c15-10-3-1-8(2-4-10)7-20-13-11(16)5-9(14(18)19)6-12(13)17/h1-6H,7H2,(H,18,19)
InChIKeyNJMZOIOXGGAMAV-UHFFFAOYSA-N
MW282.22 g/mol
LogP3.38
Rot. Bonds4

About 3,5-difluoro-4-[(4-fluorophenyl)methoxy]benzoic acid

3,5-difluoro-4-[(4-fluorophenyl)methoxy]benzoic acid (PubChem CID 79887700) has the molecular formula C14H9F3O3 and a molecular weight of 282.22 g/mol. Its IUPAC name is 3,5-difluoro-4-[(4-fluorophenyl)methoxy]benzoic acid.

Molecular Properties

Compound Name3,5-difluoro-4-[(4-fluorophenyl)methoxy]benzoic acid
PubChem CID79887700
Molecular FormulaC14H9F3O3
Molecular Weight282.22 g/mol
Exact Mass282.05
IUPAC Name3,5-difluoro-4-[(4-fluorophenyl)methoxy]benzoic acid
SMILESO=C(O)c1cc(F)c(OCc2ccc(F)cc2)c(F)c1
InChIInChI=1S/C14H9F3O3/c15-10-3-1-8(2-4-10)7-20-13-11(16)5-9(14(18)19)6-12(13)17/h1-6H,7H2,(H,18,19)
InChIKeyNJMZOIOXGGAMAV-UHFFFAOYSA-N
XLogP3.38
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3,4-dimethylphenyl)methoxy]-3,5-difluorobenzoic acid
CID 79880846
4-[(3-chlorophenyl)methoxy]-3,5-difluorobenzoic acid
CID 65124850
[3,5-difluoro-4-[(4-fluorophenyl)methoxy]phenyl]methanamine
CID 79886217
5-(chloromethyl)-1,3-difluoro-2-[(4-fluorophenyl)methoxy]benzene
CID 79888109
3-amino-4-[(4-fluorophenyl)methoxy]benzoic acid
CID 43379780
3,5-difluoro-4-(furan-2-ylmethoxy)benzoic acid
CID 63183787
1,2,4,5-tetrafluoro-3-[(4-fluorophenyl)methoxy]benzene
CID 112769771
ethyl 3,5-difluoro-4-phenylmethoxybenzoate
CID 165353841
3,5-difluoro-4-(3-fluoropropoxy)benzoic acid
CID 81105938
3,5-dibromo-4-[(4-chloro-3-fluorophenyl)methoxy]benzoic acid
CID 107881642
4-[(3-bromothiophen-2-yl)methoxy]-3,5-difluorobenzoic acid
CID 79887626
1-[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]ethanone
CID 112689439

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-[(4-fluorophenyl)methoxy]benzoic acid?
The IUPAC name of 3,5-difluoro-4-[(4-fluorophenyl)methoxy]benzoic acid (CID 79887700) is 3,5-difluoro-4-[(4-fluorophenyl)methoxy]benzoic acid.
What is the SMILES notation for 3,5-difluoro-4-[(4-fluorophenyl)methoxy]benzoic acid?
The canonical SMILES for 3,5-difluoro-4-[(4-fluorophenyl)methoxy]benzoic acid is O=C(O)c1cc(F)c(OCc2ccc(F)cc2)c(F)c1.
What is the InChIKey of 3,5-difluoro-4-[(4-fluorophenyl)methoxy]benzoic acid?
The InChIKey is NJMZOIOXGGAMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3O3/c15-10-3-1-8(2-4-10)7-20-13-11(16)5-9(14(18)19)6-12(13)17/h1-6H,7H2,(H,18,19).
What are the key properties of 3,5-difluoro-4-[(4-fluorophenyl)methoxy]benzoic acid?
3,5-difluoro-4-[(4-fluorophenyl)methoxy]benzoic acid has a molecular weight of 282.22 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-[(4-fluorophenyl)methoxy]benzoic acid is sourced from PubChem (CID 79887700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).