1-(2-fluorophenyl)sulfanyl-3-hydroxycyclobutane-1-carboxylic acid

C11H11FO3S — CID 66085424

IUPAC1-(2-fluorophenyl)sulfanyl-3-hydroxycyclobutane-1-carboxylic acid
SMILESO=C(O)C1(Sc2ccccc2F)CC(O)C1
InChIInChI=1S/C11H11FO3S/c12-8-3-1-2-4-9(8)16-11(10(14)15)5-7(13)6-11/h1-4,7,13H,5-6H2,(H,14,15)
InChIKeyYIGHJOQYFCTUDU-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.90
Rot. Bonds3

About 1-(2-fluorophenyl)sulfanyl-3-hydroxycyclobutane-1-carboxylic acid

1-(2-fluorophenyl)sulfanyl-3-hydroxycyclobutane-1-carboxylic acid (PubChem CID 66085424) has the molecular formula C11H11FO3S and a molecular weight of 242.27 g/mol. Its IUPAC name is 1-(2-fluorophenyl)sulfanyl-3-hydroxycyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-fluorophenyl)sulfanyl-3-hydroxycyclobutane-1-carboxylic acid
PubChem CID66085424
Molecular FormulaC11H11FO3S
Molecular Weight242.27 g/mol
Exact Mass242.04
IUPAC Name1-(2-fluorophenyl)sulfanyl-3-hydroxycyclobutane-1-carboxylic acid
SMILESO=C(O)C1(Sc2ccccc2F)CC(O)C1
InChIInChI=1S/C11H11FO3S/c12-8-3-1-2-4-9(8)16-11(10(14)15)5-7(13)6-11/h1-4,7,13H,5-6H2,(H,14,15)
InChIKeyYIGHJOQYFCTUDU-UHFFFAOYSA-N
XLogP1.90
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(2-methylphenyl)sulfanylcyclobutane-1-carboxylic acid
CID 66053230
1-(4-bromophenyl)sulfanyl-3-hydroxycyclobutane-1-carboxylic acid
CID 66040392
1-(3-chlorophenyl)sulfanyl-3-hydroxycyclobutane-1-carboxylic acid
CID 66148061
1-(2-bromophenyl)sulfanyl-3-propylcyclobutane-1-carboxylic acid
CID 66142864
[2-(aminomethyl)-2-(2-fluorophenyl)sulfanylcyclopropyl]methanol
CID 82984157
[1-(2-fluorophenyl)sulfanyl-3-phenylcyclobutyl]methanamine
CID 66096998
1-[2-(2-fluorophenyl)sulfanylethyl]cyclopropane-1-carboxylic acid
CID 84800527
1-(cyclopropylamino)-3-(2-fluorophenyl)sulfanylcyclopentane-1-carboxylic acid
CID 79653844
1-[[3-(2-fluorophenyl)sulfanylpropanoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115449302
2-(2-fluorophenyl)sulfanylacetic acid
CID 2740386
2-fluoro-2-(2-fluorophenyl)sulfanylacetic acid
CID 79357614
1-(2-bromophenyl)sulfanylcyclobutane-1-carboxylic acid
CID 66142666

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)sulfanyl-3-hydroxycyclobutane-1-carboxylic acid?
The IUPAC name of 1-(2-fluorophenyl)sulfanyl-3-hydroxycyclobutane-1-carboxylic acid (CID 66085424) is 1-(2-fluorophenyl)sulfanyl-3-hydroxycyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(2-fluorophenyl)sulfanyl-3-hydroxycyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(2-fluorophenyl)sulfanyl-3-hydroxycyclobutane-1-carboxylic acid is O=C(O)C1(Sc2ccccc2F)CC(O)C1.
What is the InChIKey of 1-(2-fluorophenyl)sulfanyl-3-hydroxycyclobutane-1-carboxylic acid?
The InChIKey is YIGHJOQYFCTUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO3S/c12-8-3-1-2-4-9(8)16-11(10(14)15)5-7(13)6-11/h1-4,7,13H,5-6H2,(H,14,15).
What are the key properties of 1-(2-fluorophenyl)sulfanyl-3-hydroxycyclobutane-1-carboxylic acid?
1-(2-fluorophenyl)sulfanyl-3-hydroxycyclobutane-1-carboxylic acid has a molecular weight of 242.27 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)sulfanyl-3-hydroxycyclobutane-1-carboxylic acid is sourced from PubChem (CID 66085424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).