2-[4-(difluoromethyl)phenyl]-2-methoxyacetic acid

C10H10F2O3 — CID 116769538

IUPAC2-[4-(difluoromethyl)phenyl]-2-methoxyacetic acid
SMILESCOC(C(=O)O)c1ccc(C(F)F)cc1
InChIInChI=1S/C10H10F2O3/c1-15-8(10(13)14)6-2-4-7(5-3-6)9(11)12/h2-5,8-9H,1H3,(H,13,14)
InChIKeyWEBSJHDQZRZEHS-UHFFFAOYSA-N
MW216.18 g/mol
LogP2.40
Rot. Bonds4

About 2-[4-(difluoromethyl)phenyl]-2-methoxyacetic acid

2-[4-(difluoromethyl)phenyl]-2-methoxyacetic acid (PubChem CID 116769538) has the molecular formula C10H10F2O3 and a molecular weight of 216.18 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)phenyl]-2-methoxyacetic acid.

Molecular Properties

Compound Name2-[4-(difluoromethyl)phenyl]-2-methoxyacetic acid
PubChem CID116769538
Molecular FormulaC10H10F2O3
Molecular Weight216.18 g/mol
Exact Mass216.06
IUPAC Name2-[4-(difluoromethyl)phenyl]-2-methoxyacetic acid
SMILESCOC(C(=O)O)c1ccc(C(F)F)cc1
InChIInChI=1S/C10H10F2O3/c1-15-8(10(13)14)6-2-4-7(5-3-6)9(11)12/h2-5,8-9H,1H3,(H,13,14)
InChIKeyWEBSJHDQZRZEHS-UHFFFAOYSA-N
XLogP2.40
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.18
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-methoxy-2-[4-(trifluoromethyl)phenyl]acetic acid
CID 97052451
(2R)-2-methoxy-2-(4-phenylphenyl)acetic acid
CID 124603467
2-methoxy-2-(4-methoxycarbonylphenyl)acetic acid
CID 21261883
(2S)-2-methoxy-2-(4-phenoxyphenyl)acetic acid
CID 129384207
2-[4-(4-chlorophenyl)phenyl]-2-methoxyacetic acid
CID 70572133
2-(4-ethoxyphenyl)-2-methoxyacetic acid
CID 83224411
2-(3,4-dimethylphenyl)-2-methoxyacetic acid
CID 83224323
2-(3,5-difluorophenyl)-2-methoxyacetic acid
CID 22392927
2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methoxyacetic acid
CID 167742574
2-(3-chloro-4-methylphenyl)-2-methoxyacetic acid
CID 106819374
(2R)-2-methoxy-2-(1H-pyrrol-3-yl)acetic acid
CID 170443503
2-[4-[amino-[(Z)-2-aminoethenyl]amino]phenyl]-2-methoxyacetic acid
CID 138636339

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)phenyl]-2-methoxyacetic acid?
The IUPAC name of 2-[4-(difluoromethyl)phenyl]-2-methoxyacetic acid (CID 116769538) is 2-[4-(difluoromethyl)phenyl]-2-methoxyacetic acid.
What is the SMILES notation for 2-[4-(difluoromethyl)phenyl]-2-methoxyacetic acid?
The canonical SMILES for 2-[4-(difluoromethyl)phenyl]-2-methoxyacetic acid is COC(C(=O)O)c1ccc(C(F)F)cc1.
What is the InChIKey of 2-[4-(difluoromethyl)phenyl]-2-methoxyacetic acid?
The InChIKey is WEBSJHDQZRZEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O3/c1-15-8(10(13)14)6-2-4-7(5-3-6)9(11)12/h2-5,8-9H,1H3,(H,13,14).
What are the key properties of 2-[4-(difluoromethyl)phenyl]-2-methoxyacetic acid?
2-[4-(difluoromethyl)phenyl]-2-methoxyacetic acid has a molecular weight of 216.18 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)phenyl]-2-methoxyacetic acid is sourced from PubChem (CID 116769538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).