2-(3-chloro-4-methylsulfanylphenyl)-2-fluoroethanol

C9H10ClFOS — CID 105425017

IUPAC2-(3-chloro-4-methylsulfanylphenyl)-2-fluoroethanol
SMILESCSc1ccc(C(F)CO)cc1Cl
InChIInChI=1S/C9H10ClFOS/c1-13-9-3-2-6(4-7(9)10)8(11)5-12/h2-4,8,12H,5H2,1H3
InChIKeyVYKCFAOLIPIRDK-UHFFFAOYSA-N
MW220.70 g/mol
LogP3.06
Rot. Bonds3

About 2-(3-chloro-4-methylsulfanylphenyl)-2-fluoroethanol

2-(3-chloro-4-methylsulfanylphenyl)-2-fluoroethanol (PubChem CID 105425017) has the molecular formula C9H10ClFOS and a molecular weight of 220.70 g/mol. Its IUPAC name is 2-(3-chloro-4-methylsulfanylphenyl)-2-fluoroethanol.

Molecular Properties

Compound Name2-(3-chloro-4-methylsulfanylphenyl)-2-fluoroethanol
PubChem CID105425017
Molecular FormulaC9H10ClFOS
Molecular Weight220.70 g/mol
Exact Mass220.01
IUPAC Name2-(3-chloro-4-methylsulfanylphenyl)-2-fluoroethanol
SMILESCSc1ccc(C(F)CO)cc1Cl
InChIInChI=1S/C9H10ClFOS/c1-13-9-3-2-6(4-7(9)10)8(11)5-12/h2-4,8,12H,5H2,1H3
InChIKeyVYKCFAOLIPIRDK-UHFFFAOYSA-N
XLogP3.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 53.06
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-fluoroethanol?
The IUPAC name of 2-(3-chloro-4-methylsulfanylphenyl)-2-fluoroethanol (CID 105425017) is 2-(3-chloro-4-methylsulfanylphenyl)-2-fluoroethanol.
What is the SMILES notation for 2-(3-chloro-4-methylsulfanylphenyl)-2-fluoroethanol?
The canonical SMILES for 2-(3-chloro-4-methylsulfanylphenyl)-2-fluoroethanol is CSc1ccc(C(F)CO)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methylsulfanylphenyl)-2-fluoroethanol?
The InChIKey is VYKCFAOLIPIRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFOS/c1-13-9-3-2-6(4-7(9)10)8(11)5-12/h2-4,8,12H,5H2,1H3.
What are the key properties of 2-(3-chloro-4-methylsulfanylphenyl)-2-fluoroethanol?
2-(3-chloro-4-methylsulfanylphenyl)-2-fluoroethanol has a molecular weight of 220.70 g/mol, XLogP of 3.06, 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-fluoroethanol is sourced from PubChem (CID 105425017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).