2-[(2,4-difluorophenoxy)methyl]-4-fluorobenzoic acid

C14H9F3O3 — CID 107908427

IUPAC2-[(2,4-difluorophenoxy)methyl]-4-fluorobenzoic acid
SMILESO=C(O)c1ccc(F)cc1COc1ccc(F)cc1F
InChIInChI=1S/C14H9F3O3/c15-9-1-3-11(14(18)19)8(5-9)7-20-13-4-2-10(16)6-12(13)17/h1-6H,7H2,(H,18,19)
InChIKeyAHISYCCWECRDIR-UHFFFAOYSA-N
MW282.22 g/mol
LogP3.38
Rot. Bonds4

About 2-[(2,4-difluorophenoxy)methyl]-4-fluorobenzoic acid

2-[(2,4-difluorophenoxy)methyl]-4-fluorobenzoic acid (PubChem CID 107908427) has the molecular formula C14H9F3O3 and a molecular weight of 282.22 g/mol. Its IUPAC name is 2-[(2,4-difluorophenoxy)methyl]-4-fluorobenzoic acid.

Molecular Properties

Compound Name2-[(2,4-difluorophenoxy)methyl]-4-fluorobenzoic acid
PubChem CID107908427
Molecular FormulaC14H9F3O3
Molecular Weight282.22 g/mol
Exact Mass282.05
IUPAC Name2-[(2,4-difluorophenoxy)methyl]-4-fluorobenzoic acid
SMILESO=C(O)c1ccc(F)cc1COc1ccc(F)cc1F
InChIInChI=1S/C14H9F3O3/c15-9-1-3-11(14(18)19)8(5-9)7-20-13-4-2-10(16)6-12(13)17/h1-6H,7H2,(H,18,19)
InChIKeyAHISYCCWECRDIR-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-fluoro-2-[(2-iodophenoxy)methyl]benzoic acid
CID 104637811
2-[(2,4-difluorophenyl)methoxy]benzoic acid
CID 62198104
4-fluoro-2-(methoxymethyl)benzoic acid
CID 91235487
4-fluoro-2-[(4-fluoro-3-methylphenoxy)methyl]benzoic acid
CID 104637832
2-[(2,5-difluorophenyl)methoxy]-5-iodobenzoic acid
CID 115281933
2-[4-[(2,4-difluorophenoxy)methyl]phenyl]acetic acid
CID 105344812
2-[(4-ethylphenoxy)methyl]-4-fluorobenzoic acid
CID 107908458
2-[(2-bromo-4-fluorophenoxy)methyl]-5-fluorobenzoic acid
CID 63292656
2-ethyl-4-fluorobenzoic acid
CID 22101376
4-fluoro-2-(phenylmethoxymethyl)benzoic acid
CID 107908401
2-[(2-bromo-5-fluorophenyl)methoxy]benzoic acid
CID 24699873
2-[(2-bromo-4-fluorophenyl)methoxy]-5-chlorobenzoic acid
CID 43217717

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-difluorophenoxy)methyl]-4-fluorobenzoic acid?
The IUPAC name of 2-[(2,4-difluorophenoxy)methyl]-4-fluorobenzoic acid (CID 107908427) is 2-[(2,4-difluorophenoxy)methyl]-4-fluorobenzoic acid.
What is the SMILES notation for 2-[(2,4-difluorophenoxy)methyl]-4-fluorobenzoic acid?
The canonical SMILES for 2-[(2,4-difluorophenoxy)methyl]-4-fluorobenzoic acid is O=C(O)c1ccc(F)cc1COc1ccc(F)cc1F.
What is the InChIKey of 2-[(2,4-difluorophenoxy)methyl]-4-fluorobenzoic acid?
The InChIKey is AHISYCCWECRDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3O3/c15-9-1-3-11(14(18)19)8(5-9)7-20-13-4-2-10(16)6-12(13)17/h1-6H,7H2,(H,18,19).
What are the key properties of 2-[(2,4-difluorophenoxy)methyl]-4-fluorobenzoic acid?
2-[(2,4-difluorophenoxy)methyl]-4-fluorobenzoic 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 2-[(2,4-difluorophenoxy)methyl]-4-fluorobenzoic acid is sourced from PubChem (CID 107908427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).