(2R)-1-chloro-3-[(R)-(4-fluorophenyl)sulfinyl]propan-2-ol

C9H10ClFO2S — CID 139090415

IUPAC(2R)-1-chloro-3-[(R)-(4-fluorophenyl)sulfinyl]propan-2-ol
SMILESO=[S@](C[C@@H](O)CCl)c1ccc(F)cc1
InChIInChI=1S/C9H10ClFO2S/c10-5-8(12)6-14(13)9-3-1-7(11)2-4-9/h1-4,8,12H,5-6H2/t8-,14+/m0/s1
InChIKeyLBMBYWGDTXHZRD-RMLUDKJBSA-N
MW236.69 g/mol
LogP1.53
Rot. Bonds4

About (2R)-1-chloro-3-[(R)-(4-fluorophenyl)sulfinyl]propan-2-ol

(2R)-1-chloro-3-[(R)-(4-fluorophenyl)sulfinyl]propan-2-ol (PubChem CID 139090415) has the molecular formula C9H10ClFO2S and a molecular weight of 236.69 g/mol. Its IUPAC name is (2R)-1-chloro-3-[(R)-(4-fluorophenyl)sulfinyl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-chloro-3-[(R)-(4-fluorophenyl)sulfinyl]propan-2-ol
PubChem CID139090415
Molecular FormulaC9H10ClFO2S
Molecular Weight236.69 g/mol
Exact Mass236.01
IUPAC Name(2R)-1-chloro-3-[(R)-(4-fluorophenyl)sulfinyl]propan-2-ol
SMILESO=[S@](C[C@@H](O)CCl)c1ccc(F)cc1
InChIInChI=1S/C9H10ClFO2S/c10-5-8(12)6-14(13)9-3-1-7(11)2-4-9/h1-4,8,12H,5-6H2/t8-,14+/m0/s1
InChIKeyLBMBYWGDTXHZRD-RMLUDKJBSA-N
XLogP1.53
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.69
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-ethoxy-3-(4-fluorophenyl)sulfinylpropan-2-ol
CID 64716279
1-(4-fluorophenyl)sulfinyl-3-(propylamino)propan-2-ol
CID 113318017
1-(4-fluorophenyl)sulfinyl-3-(2-methoxyethylamino)propan-2-ol
CID 113318016
3-(4-fluorophenyl)sulfinyl-2-methylpropanoic acid
CID 61304128
3-amino-4-(4-fluorophenyl)sulfinylbutan-1-ol
CID 64900354
1-[(S)-ethylsulfinyl]-4-fluorobenzene
CID 92979290
2-acetamido-3-(4-fluorophenyl)sulfinylpropanoic acid
CID 64583707
1-amino-3-(4-bromophenyl)sulfinylpropan-2-ol
CID 115477006
(2R)-1-chloro-3-(4-fluoroanilino)propan-2-ol
CID 141225780
3-(4-fluorophenyl)sulfinylpropan-1-amine
CID 58684769
3-(4-fluorophenyl)sulfinyl-N-propan-2-ylpropanamide
CID 63792984
3-(4-fluorophenyl)sulfinyl-2-phenylpropanenitrile
CID 64690038

Frequently Asked Questions

What is the IUPAC name of (2R)-1-chloro-3-[(R)-(4-fluorophenyl)sulfinyl]propan-2-ol?
The IUPAC name of (2R)-1-chloro-3-[(R)-(4-fluorophenyl)sulfinyl]propan-2-ol (CID 139090415) is (2R)-1-chloro-3-[(R)-(4-fluorophenyl)sulfinyl]propan-2-ol.
What is the SMILES notation for (2R)-1-chloro-3-[(R)-(4-fluorophenyl)sulfinyl]propan-2-ol?
The canonical SMILES for (2R)-1-chloro-3-[(R)-(4-fluorophenyl)sulfinyl]propan-2-ol is O=[S@](C[C@@H](O)CCl)c1ccc(F)cc1.
What is the InChIKey of (2R)-1-chloro-3-[(R)-(4-fluorophenyl)sulfinyl]propan-2-ol?
The InChIKey is LBMBYWGDTXHZRD-RMLUDKJBSA-N. The full InChI is InChI=1S/C9H10ClFO2S/c10-5-8(12)6-14(13)9-3-1-7(11)2-4-9/h1-4,8,12H,5-6H2/t8-,14+/m0/s1.
What are the key properties of (2R)-1-chloro-3-[(R)-(4-fluorophenyl)sulfinyl]propan-2-ol?
(2R)-1-chloro-3-[(R)-(4-fluorophenyl)sulfinyl]propan-2-ol has a molecular weight of 236.69 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-chloro-3-[(R)-(4-fluorophenyl)sulfinyl]propan-2-ol is sourced from PubChem (CID 139090415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).