trans-(1S,2S)-2-[(S)-(4-fluorophenyl)sulfinyl]cyclohexan-1-ol

C12H15FO2S — CID 139090414

IUPACtrans-(1S,2S)-2-[(S)-(4-fluorophenyl)sulfinyl]cyclohexan-1-ol
SMILESO=[S@](c1ccc(F)cc1)[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C12H15FO2S/c13-9-5-7-10(8-6-9)16(15)12-4-2-1-3-11(12)14/h5-8,11-12,14H,1-4H2/t11-,12-,16+/m0/s1
InChIKeyRSAFUDGNKBNNRA-MQIPJXDCSA-N
MW242.31 g/mol
LogP2.24
Rot. Bonds2

About trans-(1S,2S)-2-[(S)-(4-fluorophenyl)sulfinyl]cyclohexan-1-ol

trans-(1S,2S)-2-[(S)-(4-fluorophenyl)sulfinyl]cyclohexan-1-ol (PubChem CID 139090414) has the molecular formula C12H15FO2S and a molecular weight of 242.31 g/mol. Its IUPAC name is trans-(1S,2S)-2-[(S)-(4-fluorophenyl)sulfinyl]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[(S)-(4-fluorophenyl)sulfinyl]cyclohexan-1-ol
PubChem CID139090414
Molecular FormulaC12H15FO2S
Molecular Weight242.31 g/mol
Exact Mass242.08
IUPAC Nametrans-(1S,2S)-2-[(S)-(4-fluorophenyl)sulfinyl]cyclohexan-1-ol
SMILESO=[S@](c1ccc(F)cc1)[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C12H15FO2S/c13-9-5-7-10(8-6-9)16(15)12-4-2-1-3-11(12)14/h5-8,11-12,14H,1-4H2/t11-,12-,16+/m0/s1
InChIKeyRSAFUDGNKBNNRA-MQIPJXDCSA-N
XLogP2.24
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Phenylsulfanyl)cyclohexanol
CID 278135
1-(Phenylsulfinyl)propan-2-ol
CID 12619450
2-[(4-Fluorophenyl)sulfonyl]ethanol
CID 2759144
3-(Benzenesulfonyl)cyclobutan-1-ol
CID 12442438
1-Fluoro-3-phenylsulfanylpropan-2-ol
CID 13791134
(2R)-4-(2-fluorophenyl)sulfanylbutan-2-ol
CID 154708021
(2S)-4-(2-fluorophenyl)sulfanylbutan-2-ol
CID 154708022
(1S,2S)-2-(phenylsulfanyl)cyclohexan-1-ol
CID 10943711
4-(Benzenesulfonyl)butan-2-ol
CID 10943848
Ethanol, 2-(phenylsulfinyl)-
CID 10964948
(r)-(-)-4-(Phenylsulfonyl)-2-butanol
CID 11138464
trans-2-(Phenylthio)cyclohexanol
CID 11805926

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[(S)-(4-fluorophenyl)sulfinyl]cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[(S)-(4-fluorophenyl)sulfinyl]cyclohexan-1-ol (CID 139090414) is trans-(1S,2S)-2-[(S)-(4-fluorophenyl)sulfinyl]cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[(S)-(4-fluorophenyl)sulfinyl]cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[(S)-(4-fluorophenyl)sulfinyl]cyclohexan-1-ol is O=[S@](c1ccc(F)cc1)[C@H]1CCCC[C@@H]1O.
What is the InChIKey of trans-(1S,2S)-2-[(S)-(4-fluorophenyl)sulfinyl]cyclohexan-1-ol?
The InChIKey is RSAFUDGNKBNNRA-MQIPJXDCSA-N. The full InChI is InChI=1S/C12H15FO2S/c13-9-5-7-10(8-6-9)16(15)12-4-2-1-3-11(12)14/h5-8,11-12,14H,1-4H2/t11-,12-,16+/m0/s1.
What are the key properties of trans-(1S,2S)-2-[(S)-(4-fluorophenyl)sulfinyl]cyclohexan-1-ol?
trans-(1S,2S)-2-[(S)-(4-fluorophenyl)sulfinyl]cyclohexan-1-ol has a molecular weight of 242.31 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[(S)-(4-fluorophenyl)sulfinyl]cyclohexan-1-ol is sourced from PubChem (CID 139090414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).