2-(2,2-difluoro-2-phenylethoxy)acetic acid

C10H10F2O3 — CID 61328007

IUPAC2-(2,2-difluoro-2-phenylethoxy)acetic acid
SMILESO=C(O)COCC(F)(F)c1ccccc1
InChIInChI=1S/C10H10F2O3/c11-10(12,7-15-6-9(13)14)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,13,14)
InChIKeyBIHSEGDPEFPBNZ-UHFFFAOYSA-N
MW216.18 g/mol
LogP1.88
Rot. Bonds5

About 2-(2,2-difluoro-2-phenylethoxy)acetic acid

2-(2,2-difluoro-2-phenylethoxy)acetic acid (PubChem CID 61328007) has the molecular formula C10H10F2O3 and a molecular weight of 216.18 g/mol. Its IUPAC name is 2-(2,2-difluoro-2-phenylethoxy)acetic acid.

Molecular Properties

Compound Name2-(2,2-difluoro-2-phenylethoxy)acetic acid
PubChem CID61328007
Molecular FormulaC10H10F2O3
Molecular Weight216.18 g/mol
Exact Mass216.06
IUPAC Name2-(2,2-difluoro-2-phenylethoxy)acetic acid
SMILESO=C(O)COCC(F)(F)c1ccccc1
InChIInChI=1S/C10H10F2O3/c11-10(12,7-15-6-9(13)14)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,13,14)
InChIKeyBIHSEGDPEFPBNZ-UHFFFAOYSA-N
XLogP1.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.18
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(4-ethylphenyl)-2,2-difluoroethoxy]acetic acid
CID 61328203
2-[2,2-difluoro-2-(4-methoxy-3-methylphenyl)ethoxy]acetic acid
CID 61327040
2-[2-(1,3-dihydro-2-benzofuran-5-yl)-2,2-difluoroethoxy]acetic acid
CID 63020597
2-[2,2-difluoro-2-(3-fluoro-4-methoxyphenyl)ethoxy]acetic acid
CID 61327232
2-(2,2-difluoro-2-phenylethoxy)ethanamine
CID 116789855
3,4,4,4-tetrafluoro-3-phenylbutanoic acid
CID 84736567
4-amino-2-(2,2-difluoro-2-phenylethoxy)benzoic acid
CID 106954864
6-(2,2-difluoro-2-phenylethoxy)-4,4-difluorohexanal
CID 86658314
N-(1-chloro-2-phenylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212847
2-[[4-(trifluoromethyl)phenyl]methoxy]acetic acid
CID 69381817
4,4,4-trifluoro-3-hydroxy-3-phenylbutanoic acid
CID 3879446
2-[3-(carboxymethoxy)-2,2-bis(carboxymethoxymethyl)propoxy]acetic acid
CID 12729088

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoro-2-phenylethoxy)acetic acid?
The IUPAC name of 2-(2,2-difluoro-2-phenylethoxy)acetic acid (CID 61328007) is 2-(2,2-difluoro-2-phenylethoxy)acetic acid.
What is the SMILES notation for 2-(2,2-difluoro-2-phenylethoxy)acetic acid?
The canonical SMILES for 2-(2,2-difluoro-2-phenylethoxy)acetic acid is O=C(O)COCC(F)(F)c1ccccc1.
What is the InChIKey of 2-(2,2-difluoro-2-phenylethoxy)acetic acid?
The InChIKey is BIHSEGDPEFPBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O3/c11-10(12,7-15-6-9(13)14)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,13,14).
What are the key properties of 2-(2,2-difluoro-2-phenylethoxy)acetic acid?
2-(2,2-difluoro-2-phenylethoxy)acetic acid has a molecular weight of 216.18 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoro-2-phenylethoxy)acetic acid is sourced from PubChem (CID 61328007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).