1-(3,4-difluorophenyl)-2-(4-methylthiophen-2-yl)ethanol

C13H12F2OS — CID 18969752

IUPAC1-(3,4-difluorophenyl)-2-(4-methylthiophen-2-yl)ethanol
SMILESCc1csc(CC(O)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C13H12F2OS/c1-8-4-10(17-7-8)6-13(16)9-2-3-11(14)12(15)5-9/h2-5,7,13,16H,6H2,1H3
InChIKeyIPYDEYYUVDRGRO-UHFFFAOYSA-N
MW254.30 g/mol
LogP3.61
Rot. Bonds3

About 1-(3,4-difluorophenyl)-2-(4-methylthiophen-2-yl)ethanol

1-(3,4-difluorophenyl)-2-(4-methylthiophen-2-yl)ethanol (PubChem CID 18969752) has the molecular formula C13H12F2OS and a molecular weight of 254.30 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-(4-methylthiophen-2-yl)ethanol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-(4-methylthiophen-2-yl)ethanol
PubChem CID18969752
Molecular FormulaC13H12F2OS
Molecular Weight254.30 g/mol
Exact Mass254.06
IUPAC Name1-(3,4-difluorophenyl)-2-(4-methylthiophen-2-yl)ethanol
SMILESCc1csc(CC(O)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C13H12F2OS/c1-8-4-10(17-7-8)6-13(16)9-2-3-11(14)12(15)5-9/h2-5,7,13,16H,6H2,1H3
InChIKeyIPYDEYYUVDRGRO-UHFFFAOYSA-N
XLogP3.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-(4-methylthiophen-2-yl)ethanol?
The IUPAC name of 1-(3,4-difluorophenyl)-2-(4-methylthiophen-2-yl)ethanol (CID 18969752) is 1-(3,4-difluorophenyl)-2-(4-methylthiophen-2-yl)ethanol.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-(4-methylthiophen-2-yl)ethanol?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-(4-methylthiophen-2-yl)ethanol is Cc1csc(CC(O)c2ccc(F)c(F)c2)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-(4-methylthiophen-2-yl)ethanol?
The InChIKey is IPYDEYYUVDRGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2OS/c1-8-4-10(17-7-8)6-13(16)9-2-3-11(14)12(15)5-9/h2-5,7,13,16H,6H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-(4-methylthiophen-2-yl)ethanol?
1-(3,4-difluorophenyl)-2-(4-methylthiophen-2-yl)ethanol has a molecular weight of 254.30 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-(4-methylthiophen-2-yl)ethanol is sourced from PubChem (CID 18969752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).