2-(3-chloro-4-methylsulfanylphenyl)-2-fluoropropan-1-ol

C10H12ClFOS — CID 105425023

IUPAC2-(3-chloro-4-methylsulfanylphenyl)-2-fluoropropan-1-ol
SMILESCSc1ccc(C(C)(F)CO)cc1Cl
InChIInChI=1S/C10H12ClFOS/c1-10(12,6-13)7-3-4-9(14-2)8(11)5-7/h3-5,13H,6H2,1-2H3
InChIKeyJIDVWCVIZSSDSU-UHFFFAOYSA-N
MW234.72 g/mol
LogP3.24
Rot. Bonds3

About 2-(3-chloro-4-methylsulfanylphenyl)-2-fluoropropan-1-ol

2-(3-chloro-4-methylsulfanylphenyl)-2-fluoropropan-1-ol (PubChem CID 105425023) has the molecular formula C10H12ClFOS and a molecular weight of 234.72 g/mol. Its IUPAC name is 2-(3-chloro-4-methylsulfanylphenyl)-2-fluoropropan-1-ol.

Molecular Properties

Compound Name2-(3-chloro-4-methylsulfanylphenyl)-2-fluoropropan-1-ol
PubChem CID105425023
Molecular FormulaC10H12ClFOS
Molecular Weight234.72 g/mol
Exact Mass234.03
IUPAC Name2-(3-chloro-4-methylsulfanylphenyl)-2-fluoropropan-1-ol
SMILESCSc1ccc(C(C)(F)CO)cc1Cl
InChIInChI=1S/C10H12ClFOS/c1-10(12,6-13)7-3-4-9(14-2)8(11)5-7/h3-5,13H,6H2,1-2H3
InChIKeyJIDVWCVIZSSDSU-UHFFFAOYSA-N
XLogP3.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.72
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylsulfanylphenyl)-2-fluoropropan-1-ol?
The IUPAC name of 2-(3-chloro-4-methylsulfanylphenyl)-2-fluoropropan-1-ol (CID 105425023) is 2-(3-chloro-4-methylsulfanylphenyl)-2-fluoropropan-1-ol.
What is the SMILES notation for 2-(3-chloro-4-methylsulfanylphenyl)-2-fluoropropan-1-ol?
The canonical SMILES for 2-(3-chloro-4-methylsulfanylphenyl)-2-fluoropropan-1-ol is CSc1ccc(C(C)(F)CO)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methylsulfanylphenyl)-2-fluoropropan-1-ol?
The InChIKey is JIDVWCVIZSSDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFOS/c1-10(12,6-13)7-3-4-9(14-2)8(11)5-7/h3-5,13H,6H2,1-2H3.
What are the key properties of 2-(3-chloro-4-methylsulfanylphenyl)-2-fluoropropan-1-ol?
2-(3-chloro-4-methylsulfanylphenyl)-2-fluoropropan-1-ol has a molecular weight of 234.72 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methylsulfanylphenyl)-2-fluoropropan-1-ol is sourced from PubChem (CID 105425023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).