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

C10H12ClFOS — CID 105425018

IUPAC2-(3-chloro-4-ethylsulfanylphenyl)-2-fluoroethanol
SMILESCCSc1ccc(C(F)CO)cc1Cl
InChIInChI=1S/C10H12ClFOS/c1-2-14-10-4-3-7(5-8(10)11)9(12)6-13/h3-5,9,13H,2,6H2,1H3
InChIKeyBNHZSKVPYMRYFX-UHFFFAOYSA-N
MW234.72 g/mol
LogP3.45
Rot. Bonds4

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

2-(3-chloro-4-ethylsulfanylphenyl)-2-fluoroethanol (PubChem CID 105425018) has the molecular formula C10H12ClFOS and a molecular weight of 234.72 g/mol. Its IUPAC name is 2-(3-chloro-4-ethylsulfanylphenyl)-2-fluoroethanol.

Molecular Properties

Compound Name2-(3-chloro-4-ethylsulfanylphenyl)-2-fluoroethanol
PubChem CID105425018
Molecular FormulaC10H12ClFOS
Molecular Weight234.72 g/mol
Exact Mass234.03
IUPAC Name2-(3-chloro-4-ethylsulfanylphenyl)-2-fluoroethanol
SMILESCCSc1ccc(C(F)CO)cc1Cl
InChIInChI=1S/C10H12ClFOS/c1-2-14-10-4-3-7(5-8(10)11)9(12)6-13/h3-5,9,13H,2,6H2,1H3
InChIKeyBNHZSKVPYMRYFX-UHFFFAOYSA-N
XLogP3.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.72
LogP ≤ 53.45
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-ethylsulfanylphenyl)-2-fluoroethanol?
The IUPAC name of 2-(3-chloro-4-ethylsulfanylphenyl)-2-fluoroethanol (CID 105425018) is 2-(3-chloro-4-ethylsulfanylphenyl)-2-fluoroethanol.
What is the SMILES notation for 2-(3-chloro-4-ethylsulfanylphenyl)-2-fluoroethanol?
The canonical SMILES for 2-(3-chloro-4-ethylsulfanylphenyl)-2-fluoroethanol is CCSc1ccc(C(F)CO)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-ethylsulfanylphenyl)-2-fluoroethanol?
The InChIKey is BNHZSKVPYMRYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFOS/c1-2-14-10-4-3-7(5-8(10)11)9(12)6-13/h3-5,9,13H,2,6H2,1H3.
What are the key properties of 2-(3-chloro-4-ethylsulfanylphenyl)-2-fluoroethanol?
2-(3-chloro-4-ethylsulfanylphenyl)-2-fluoroethanol has a molecular weight of 234.72 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-ethylsulfanylphenyl)-2-fluoroethanol is sourced from PubChem (CID 105425018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).