2-(3-chloro-4-ethylsulfanylphenyl)-2,2-difluoroethanol

C10H11ClF2OS — CID 105425027

IUPAC2-(3-chloro-4-ethylsulfanylphenyl)-2,2-difluoroethanol
SMILESCCSc1ccc(C(F)(F)CO)cc1Cl
InChIInChI=1S/C10H11ClF2OS/c1-2-15-9-4-3-7(5-8(9)11)10(12,13)6-14/h3-5,14H,2,6H2,1H3
InChIKeyNFZURYWHSJBNFT-UHFFFAOYSA-N
MW252.71 g/mol
LogP3.54
Rot. Bonds4

About 2-(3-chloro-4-ethylsulfanylphenyl)-2,2-difluoroethanol

2-(3-chloro-4-ethylsulfanylphenyl)-2,2-difluoroethanol (PubChem CID 105425027) has the molecular formula C10H11ClF2OS and a molecular weight of 252.71 g/mol. Its IUPAC name is 2-(3-chloro-4-ethylsulfanylphenyl)-2,2-difluoroethanol.

Molecular Properties

Compound Name2-(3-chloro-4-ethylsulfanylphenyl)-2,2-difluoroethanol
PubChem CID105425027
Molecular FormulaC10H11ClF2OS
Molecular Weight252.71 g/mol
Exact Mass252.02
IUPAC Name2-(3-chloro-4-ethylsulfanylphenyl)-2,2-difluoroethanol
SMILESCCSc1ccc(C(F)(F)CO)cc1Cl
InChIInChI=1S/C10H11ClF2OS/c1-2-15-9-4-3-7(5-8(9)11)10(12,13)6-14/h3-5,14H,2,6H2,1H3
InChIKeyNFZURYWHSJBNFT-UHFFFAOYSA-N
XLogP3.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.71
LogP ≤ 53.54
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)-2,2-difluoroethanol?
The IUPAC name of 2-(3-chloro-4-ethylsulfanylphenyl)-2,2-difluoroethanol (CID 105425027) is 2-(3-chloro-4-ethylsulfanylphenyl)-2,2-difluoroethanol.
What is the SMILES notation for 2-(3-chloro-4-ethylsulfanylphenyl)-2,2-difluoroethanol?
The canonical SMILES for 2-(3-chloro-4-ethylsulfanylphenyl)-2,2-difluoroethanol is CCSc1ccc(C(F)(F)CO)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-ethylsulfanylphenyl)-2,2-difluoroethanol?
The InChIKey is NFZURYWHSJBNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF2OS/c1-2-15-9-4-3-7(5-8(9)11)10(12,13)6-14/h3-5,14H,2,6H2,1H3.
What are the key properties of 2-(3-chloro-4-ethylsulfanylphenyl)-2,2-difluoroethanol?
2-(3-chloro-4-ethylsulfanylphenyl)-2,2-difluoroethanol has a molecular weight of 252.71 g/mol, XLogP of 3.54, 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)-2,2-difluoroethanol is sourced from PubChem (CID 105425027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).