(2R)-4-(2-fluorophenyl)sulfanylbutan-2-ol

C10H13FOS — CID 154708021

IUPAC(2R)-4-(2-fluorophenyl)sulfanylbutan-2-ol
SMILESC[C@@H](O)CCSc1ccccc1F
InChIInChI=1S/C10H13FOS/c1-8(12)6-7-13-10-5-3-2-4-9(10)11/h2-5,8,12H,6-7H2,1H3/t8-/m1/s1
InChIKeyFBCVLNXJJBZQPE-MRVPVSSYSA-N
MW200.28 g/mol
LogP2.69
Rot. Bonds4

About (2R)-4-(2-fluorophenyl)sulfanylbutan-2-ol

(2R)-4-(2-fluorophenyl)sulfanylbutan-2-ol (PubChem CID 154708021) has the molecular formula C10H13FOS and a molecular weight of 200.28 g/mol. Its IUPAC name is (2R)-4-(2-fluorophenyl)sulfanylbutan-2-ol.

Molecular Properties

Compound Name(2R)-4-(2-fluorophenyl)sulfanylbutan-2-ol
PubChem CID154708021
Molecular FormulaC10H13FOS
Molecular Weight200.28 g/mol
Exact Mass200.07
IUPAC Name(2R)-4-(2-fluorophenyl)sulfanylbutan-2-ol
SMILESC[C@@H](O)CCSc1ccccc1F
InChIInChI=1S/C10H13FOS/c1-8(12)6-7-13-10-5-3-2-4-9(10)11/h2-5,8,12H,6-7H2,1H3/t8-/m1/s1
InChIKeyFBCVLNXJJBZQPE-MRVPVSSYSA-N
XLogP2.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-(2-fluorophenyl)sulfanylbutan-2-ol?
The IUPAC name of (2R)-4-(2-fluorophenyl)sulfanylbutan-2-ol (CID 154708021) is (2R)-4-(2-fluorophenyl)sulfanylbutan-2-ol.
What is the SMILES notation for (2R)-4-(2-fluorophenyl)sulfanylbutan-2-ol?
The canonical SMILES for (2R)-4-(2-fluorophenyl)sulfanylbutan-2-ol is C[C@@H](O)CCSc1ccccc1F.
What is the InChIKey of (2R)-4-(2-fluorophenyl)sulfanylbutan-2-ol?
The InChIKey is FBCVLNXJJBZQPE-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H13FOS/c1-8(12)6-7-13-10-5-3-2-4-9(10)11/h2-5,8,12H,6-7H2,1H3/t8-/m1/s1.
What are the key properties of (2R)-4-(2-fluorophenyl)sulfanylbutan-2-ol?
(2R)-4-(2-fluorophenyl)sulfanylbutan-2-ol has a molecular weight of 200.28 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(2-fluorophenyl)sulfanylbutan-2-ol is sourced from PubChem (CID 154708021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).