2-(pentafluoro-λ6-sulfanyl)pentanoic acid

C5H9F5O2S — CID 25263549

IUPAC2-(pentafluoro-λ6-sulfanyl)pentanoic acid
SMILESCCCC(C(=O)O)S(F)(F)(F)(F)F
InChIInChI=1S/C5H9F5O2S/c1-2-3-4(5(11)12)13(6,7,8,9)10/h4H,2-3H2,1H3,(H,11,12)
InChIKeyROLRUEFOHMEPPL-UHFFFAOYSA-N
MW228.18 g/mol
LogP3.54
Rot. Bonds4

About 2-(pentafluoro-λ6-sulfanyl)pentanoic acid

2-(pentafluoro-λ6-sulfanyl)pentanoic acid (PubChem CID 25263549) has the molecular formula C5H9F5O2S and a molecular weight of 228.18 g/mol. Its IUPAC name is 2-(pentafluoro-λ6-sulfanyl)pentanoic acid.

Molecular Properties

Compound Name2-(pentafluoro-λ6-sulfanyl)pentanoic acid
PubChem CID25263549
Molecular FormulaC5H9F5O2S
Molecular Weight228.18 g/mol
Exact Mass228.02
IUPAC Name2-(pentafluoro-λ6-sulfanyl)pentanoic acid
SMILESCCCC(C(=O)O)S(F)(F)(F)(F)F
InChIInChI=1S/C5H9F5O2S/c1-2-3-4(5(11)12)13(6,7,8,9)10/h4H,2-3H2,1H3,(H,11,12)
InChIKeyROLRUEFOHMEPPL-UHFFFAOYSA-N
XLogP3.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.18
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-amino(311C)pentanoic acid
CID 55291456
(2R)-2-(15N)azanyl(313C)pentanoic acid
CID 157463358
butane-1,1-diol;carbonic acid
CID 88634618
bis(butane-1,1-diol);oxalic acid
CID 158734382
2-(trifluoromethyl)pentanoic acid
CID 20539748
2-ethylpentanoic acid
CID 158993232
CID 159174397
CID 159174397
2-silylpentanoic acid
CID 154177343
2-ethylpentanoic acid
CID 30020
2,4-difluoro-3-oxoheptanoic acid
CID 175385546
(2S)-2-aminohexanoic acid;(2R)-2-aminopentanoic acid
CID 158530553
2-amino-3-fluorohexanoic acid
CID 2737444

Frequently Asked Questions

What is the IUPAC name of 2-(pentafluoro-λ6-sulfanyl)pentanoic acid?
The IUPAC name of 2-(pentafluoro-λ6-sulfanyl)pentanoic acid (CID 25263549) is 2-(pentafluoro-λ6-sulfanyl)pentanoic acid.
What is the SMILES notation for 2-(pentafluoro-λ6-sulfanyl)pentanoic acid?
The canonical SMILES for 2-(pentafluoro-λ6-sulfanyl)pentanoic acid is CCCC(C(=O)O)S(F)(F)(F)(F)F.
What is the InChIKey of 2-(pentafluoro-λ6-sulfanyl)pentanoic acid?
The InChIKey is ROLRUEFOHMEPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F5O2S/c1-2-3-4(5(11)12)13(6,7,8,9)10/h4H,2-3H2,1H3,(H,11,12).
What are the key properties of 2-(pentafluoro-λ6-sulfanyl)pentanoic acid?
2-(pentafluoro-λ6-sulfanyl)pentanoic acid has a molecular weight of 228.18 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pentafluoro-λ6-sulfanyl)pentanoic acid is sourced from PubChem (CID 25263549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).