2-fluoro-2-(2,4,6-trifluorophenyl)acetic acid

C8H4F4O2 — CID 130136009

IUPAC2-fluoro-2-(2,4,6-trifluorophenyl)acetic acid
SMILESO=C(O)C(F)c1c(F)cc(F)cc1F
InChIInChI=1S/C8H4F4O2/c9-3-1-4(10)6(5(11)2-3)7(12)8(13)14/h1-2,7H,(H,13,14)
InChIKeyBPRVCYNSGGIGGT-UHFFFAOYSA-N
MW208.11 g/mol
LogP2.20
Rot. Bonds2

About 2-fluoro-2-(2,4,6-trifluorophenyl)acetic acid

2-fluoro-2-(2,4,6-trifluorophenyl)acetic acid (PubChem CID 130136009) has the molecular formula C8H4F4O2 and a molecular weight of 208.11 g/mol. Its IUPAC name is 2-fluoro-2-(2,4,6-trifluorophenyl)acetic acid.

Molecular Properties

Compound Name2-fluoro-2-(2,4,6-trifluorophenyl)acetic acid
PubChem CID130136009
Molecular FormulaC8H4F4O2
Molecular Weight208.11 g/mol
Exact Mass208.01
IUPAC Name2-fluoro-2-(2,4,6-trifluorophenyl)acetic acid
SMILESO=C(O)C(F)c1c(F)cc(F)cc1F
InChIInChI=1S/C8H4F4O2/c9-3-1-4(10)6(5(11)2-3)7(12)8(13)14/h1-2,7H,(H,13,14)
InChIKeyBPRVCYNSGGIGGT-UHFFFAOYSA-N
XLogP2.20
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.11
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-hydroxy-2-(2,4,6-trifluorophenyl)acetic acid
CID 131599088
(2R)-2-hydroxy-2-(2,3,5-trifluorophenyl)acetic acid
CID 70080177
(5R)-5-amino-5-(2,4,6-trifluorophenyl)pentanoic acid
CID 28931216
(2S)-2-amino-3-(2,4,6-trifluorophenyl)propanoic acid
CID 10846511
3-(2,4,6-trifluorophenyl)butanamide
CID 164885056
2-(5-bromo-2-fluorophenyl)-2-fluoroacetic acid
CID 79743413
(2R)-2-amino-2-(2-amino-3,5-difluorophenyl)acetic acid
CID 130632470
2-methylsulfonyl-1-(2,4,6-trifluorophenyl)propan-1-amine
CID 113421976
(2R)-2-amino-3-(3,5-difluoro-2-pyridinyl)propanoic acid
CID 131055961
acetic acid;1,3,5-trifluorobenzene
CID 162178148
2-methyl-1-(2,4,6-trifluorophenyl)propan-1-amine
CID 43198662
2-methyl-1-(2,4,6-trifluorophenyl)propan-1-ol
CID 61087293

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(2,4,6-trifluorophenyl)acetic acid?
The IUPAC name of 2-fluoro-2-(2,4,6-trifluorophenyl)acetic acid (CID 130136009) is 2-fluoro-2-(2,4,6-trifluorophenyl)acetic acid.
What is the SMILES notation for 2-fluoro-2-(2,4,6-trifluorophenyl)acetic acid?
The canonical SMILES for 2-fluoro-2-(2,4,6-trifluorophenyl)acetic acid is O=C(O)C(F)c1c(F)cc(F)cc1F.
What is the InChIKey of 2-fluoro-2-(2,4,6-trifluorophenyl)acetic acid?
The InChIKey is BPRVCYNSGGIGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F4O2/c9-3-1-4(10)6(5(11)2-3)7(12)8(13)14/h1-2,7H,(H,13,14).
What are the key properties of 2-fluoro-2-(2,4,6-trifluorophenyl)acetic acid?
2-fluoro-2-(2,4,6-trifluorophenyl)acetic acid has a molecular weight of 208.11 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(2,4,6-trifluorophenyl)acetic acid is sourced from PubChem (CID 130136009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).