2,2-difluoro-2-[3-(trifluoromethoxy)phenyl]acetic acid

C9H5F5O3 — CID 62916357

IUPAC2,2-difluoro-2-[3-(trifluoromethoxy)phenyl]acetic acid
SMILESO=C(O)C(F)(F)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C9H5F5O3/c10-8(11,7(15)16)5-2-1-3-6(4-5)17-9(12,13)14/h1-4H,(H,15,16)
InChIKeyKOIZMHJQOBPZAW-UHFFFAOYSA-N
MW256.13 g/mol
LogP2.76
Rot. Bonds3

About 2,2-difluoro-2-[3-(trifluoromethoxy)phenyl]acetic acid

2,2-difluoro-2-[3-(trifluoromethoxy)phenyl]acetic acid (PubChem CID 62916357) has the molecular formula C9H5F5O3 and a molecular weight of 256.13 g/mol. Its IUPAC name is 2,2-difluoro-2-[3-(trifluoromethoxy)phenyl]acetic acid.

Molecular Properties

Compound Name2,2-difluoro-2-[3-(trifluoromethoxy)phenyl]acetic acid
PubChem CID62916357
Molecular FormulaC9H5F5O3
Molecular Weight256.13 g/mol
Exact Mass256.02
IUPAC Name2,2-difluoro-2-[3-(trifluoromethoxy)phenyl]acetic acid
SMILESO=C(O)C(F)(F)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C9H5F5O3/c10-8(11,7(15)16)5-2-1-3-6(4-5)17-9(12,13)14/h1-4H,(H,15,16)
InChIKeyKOIZMHJQOBPZAW-UHFFFAOYSA-N
XLogP2.76
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.13
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-[3-[3-(trifluoromethoxy)phenyl]phenyl]propanoic acid
CID 176514248
2-(3-tert-butylphenyl)-2,2-difluoroacetic acid
CID 105425731
2,2-difluoro-2-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]acetic acid
CID 162738000
2-(3-bromophenyl)-2,2-difluoroacetic acid
CID 28740330
3,3-dimethyl-2-[3-(trifluoromethoxy)phenyl]butan-2-ol
CID 113302780
2,2-difluoro-2-[3-(2-methylsulfonylethoxy)phenyl]acetic acid
CID 118646945
3-[3-(trifluoromethoxy)phenyl]pentan-3-ol
CID 62917897
2,2-difluoro-2-phenylacetic acid;silver
CID 87172236
2-bromo-N-[2,2-difluoro-2-[3-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 176659769
[3-(trifluoromethoxy)phenyl] acetate
CID 20717735
(2R)-2-hydroxy-2-[3-(trifluoromethoxy)phenyl]acetic acid
CID 96874577
2-[2-chloro-4-(trifluoromethoxy)phenyl]-2,2-difluoroacetic acid
CID 166132507

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-[3-(trifluoromethoxy)phenyl]acetic acid?
The IUPAC name of 2,2-difluoro-2-[3-(trifluoromethoxy)phenyl]acetic acid (CID 62916357) is 2,2-difluoro-2-[3-(trifluoromethoxy)phenyl]acetic acid.
What is the SMILES notation for 2,2-difluoro-2-[3-(trifluoromethoxy)phenyl]acetic acid?
The canonical SMILES for 2,2-difluoro-2-[3-(trifluoromethoxy)phenyl]acetic acid is O=C(O)C(F)(F)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 2,2-difluoro-2-[3-(trifluoromethoxy)phenyl]acetic acid?
The InChIKey is KOIZMHJQOBPZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F5O3/c10-8(11,7(15)16)5-2-1-3-6(4-5)17-9(12,13)14/h1-4H,(H,15,16).
What are the key properties of 2,2-difluoro-2-[3-(trifluoromethoxy)phenyl]acetic acid?
2,2-difluoro-2-[3-(trifluoromethoxy)phenyl]acetic acid has a molecular weight of 256.13 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-[3-(trifluoromethoxy)phenyl]acetic acid is sourced from PubChem (CID 62916357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).