2-[3-fluoro-5-(pentafluoro-λ6-sulfanyl)phenyl]acetic acid

C8H6F6O2S — CID 66523545

IUPAC2-[3-fluoro-5-(pentafluoro-λ6-sulfanyl)phenyl]acetic acid
SMILESO=C(O)Cc1cc(F)cc(S(F)(F)(F)(F)F)c1
InChIInChI=1S/C8H6F6O2S/c9-6-1-5(3-8(15)16)2-7(4-6)17(10,11,12,13)14/h1-2,4H,3H2,(H,15,16)
InChIKeyIZLGUBFCHOPNJB-UHFFFAOYSA-N
MW280.19 g/mol
LogP4.11
Rot. Bonds3

About 2-[3-fluoro-5-(pentafluoro-λ6-sulfanyl)phenyl]acetic acid

2-[3-fluoro-5-(pentafluoro-λ6-sulfanyl)phenyl]acetic acid (PubChem CID 66523545) has the molecular formula C8H6F6O2S and a molecular weight of 280.19 g/mol. Its IUPAC name is 2-[3-fluoro-5-(pentafluoro-λ6-sulfanyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-fluoro-5-(pentafluoro-λ6-sulfanyl)phenyl]acetic acid
PubChem CID66523545
Molecular FormulaC8H6F6O2S
Molecular Weight280.19 g/mol
Exact Mass280.00
IUPAC Name2-[3-fluoro-5-(pentafluoro-λ6-sulfanyl)phenyl]acetic acid
SMILESO=C(O)Cc1cc(F)cc(S(F)(F)(F)(F)F)c1
InChIInChI=1S/C8H6F6O2S/c9-6-1-5(3-8(15)16)2-7(4-6)17(10,11,12,13)14/h1-2,4H,3H2,(H,15,16)
InChIKeyIZLGUBFCHOPNJB-UHFFFAOYSA-N
XLogP4.11
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.19
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-amino-4-bromo-5-fluorophenyl)acetic acid
CID 131517658
1-(3,5-difluorophenyl)-3-phenylpropan-2-one
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2-(3,5-difluorophenyl)-1-(2,3,4-trifluorophenyl)ethanone
CID 62964616
2-[4-(3,5-difluoroanilino)phenyl]acetic acid
CID 82535938
1-bromo-3-(3,5-difluorophenyl)propan-2-one
CID 53403276
1-(3,5-difluorophenyl)butan-2-one
CID 61496651
2-[3-fluoro-5-(2-methoxyphenyl)phenyl]acetic acid
CID 165436051
2-[3-fluoro-5-(3-methoxyphenyl)phenyl]acetic acid
CID 165436057
1-(3,5-difluorophenyl)-3,3-dimethylbutan-2-one
CID 59128716
2-[4-fluoro-2-(fluoromethyl)phenyl]acetic acid
CID 141066600
2-(2,5-difluoro-3-methylphenyl)acetic acid
CID 118999566
2-(3,5-dimethylphenyl)acetic acid;ethane
CID 143170600

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-5-(pentafluoro-λ6-sulfanyl)phenyl]acetic acid?
The IUPAC name of 2-[3-fluoro-5-(pentafluoro-λ6-sulfanyl)phenyl]acetic acid (CID 66523545) is 2-[3-fluoro-5-(pentafluoro-λ6-sulfanyl)phenyl]acetic acid.
What is the SMILES notation for 2-[3-fluoro-5-(pentafluoro-λ6-sulfanyl)phenyl]acetic acid?
The canonical SMILES for 2-[3-fluoro-5-(pentafluoro-λ6-sulfanyl)phenyl]acetic acid is O=C(O)Cc1cc(F)cc(S(F)(F)(F)(F)F)c1.
What is the InChIKey of 2-[3-fluoro-5-(pentafluoro-λ6-sulfanyl)phenyl]acetic acid?
The InChIKey is IZLGUBFCHOPNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F6O2S/c9-6-1-5(3-8(15)16)2-7(4-6)17(10,11,12,13)14/h1-2,4H,3H2,(H,15,16).
What are the key properties of 2-[3-fluoro-5-(pentafluoro-λ6-sulfanyl)phenyl]acetic acid?
2-[3-fluoro-5-(pentafluoro-λ6-sulfanyl)phenyl]acetic acid has a molecular weight of 280.19 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-5-(pentafluoro-λ6-sulfanyl)phenyl]acetic acid is sourced from PubChem (CID 66523545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).