(2R)-2-fluoro-3-[4-(trifluoromethylsulfanyl)phenyl]propan-1-ol

C10H10F4OS — CID 155930875

IUPAC(2R)-2-fluoro-3-[4-(trifluoromethylsulfanyl)phenyl]propan-1-ol
SMILESOC[C@H](F)Cc1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C10H10F4OS/c11-8(6-15)5-7-1-3-9(4-2-7)16-10(12,13)14/h1-4,8,15H,5-6H2/t8-/m1/s1
InChIKeyQHOMEETZSUBOES-MRVPVSSYSA-N
MW254.25 g/mol
LogP3.17
Rot. Bonds4

About (2R)-2-fluoro-3-[4-(trifluoromethylsulfanyl)phenyl]propan-1-ol

(2R)-2-fluoro-3-[4-(trifluoromethylsulfanyl)phenyl]propan-1-ol (PubChem CID 155930875) has the molecular formula C10H10F4OS and a molecular weight of 254.25 g/mol. Its IUPAC name is (2R)-2-fluoro-3-[4-(trifluoromethylsulfanyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-fluoro-3-[4-(trifluoromethylsulfanyl)phenyl]propan-1-ol
PubChem CID155930875
Molecular FormulaC10H10F4OS
Molecular Weight254.25 g/mol
Exact Mass254.04
IUPAC Name(2R)-2-fluoro-3-[4-(trifluoromethylsulfanyl)phenyl]propan-1-ol
SMILESOC[C@H](F)Cc1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C10H10F4OS/c11-8(6-15)5-7-1-3-9(4-2-7)16-10(12,13)14/h1-4,8,15H,5-6H2/t8-/m1/s1
InChIKeyQHOMEETZSUBOES-MRVPVSSYSA-N
XLogP3.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-fluoro-3-[4-(trifluoromethylsulfanyl)phenyl]propan-1-ol?
The IUPAC name of (2R)-2-fluoro-3-[4-(trifluoromethylsulfanyl)phenyl]propan-1-ol (CID 155930875) is (2R)-2-fluoro-3-[4-(trifluoromethylsulfanyl)phenyl]propan-1-ol.
What is the SMILES notation for (2R)-2-fluoro-3-[4-(trifluoromethylsulfanyl)phenyl]propan-1-ol?
The canonical SMILES for (2R)-2-fluoro-3-[4-(trifluoromethylsulfanyl)phenyl]propan-1-ol is OC[C@H](F)Cc1ccc(SC(F)(F)F)cc1.
What is the InChIKey of (2R)-2-fluoro-3-[4-(trifluoromethylsulfanyl)phenyl]propan-1-ol?
The InChIKey is QHOMEETZSUBOES-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H10F4OS/c11-8(6-15)5-7-1-3-9(4-2-7)16-10(12,13)14/h1-4,8,15H,5-6H2/t8-/m1/s1.
What are the key properties of (2R)-2-fluoro-3-[4-(trifluoromethylsulfanyl)phenyl]propan-1-ol?
(2R)-2-fluoro-3-[4-(trifluoromethylsulfanyl)phenyl]propan-1-ol has a molecular weight of 254.25 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-fluoro-3-[4-(trifluoromethylsulfanyl)phenyl]propan-1-ol is sourced from PubChem (CID 155930875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).