1-(3-chlorothiophen-2-yl)-2-(2,5-difluorophenyl)ethanol

C12H9ClF2OS — CID 114982062

IUPAC1-(3-chlorothiophen-2-yl)-2-(2,5-difluorophenyl)ethanol
SMILESOC(Cc1cc(F)ccc1F)c1sccc1Cl
InChIInChI=1S/C12H9ClF2OS/c13-9-3-4-17-12(9)11(16)6-7-5-8(14)1-2-10(7)15/h1-5,11,16H,6H2
InChIKeyISQUINDOUSZHJH-UHFFFAOYSA-N
MW274.72 g/mol
LogP3.96
Rot. Bonds3

About 1-(3-chlorothiophen-2-yl)-2-(2,5-difluorophenyl)ethanol

1-(3-chlorothiophen-2-yl)-2-(2,5-difluorophenyl)ethanol (PubChem CID 114982062) has the molecular formula C12H9ClF2OS and a molecular weight of 274.72 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-2-(2,5-difluorophenyl)ethanol.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-2-(2,5-difluorophenyl)ethanol
PubChem CID114982062
Molecular FormulaC12H9ClF2OS
Molecular Weight274.72 g/mol
Exact Mass274.00
IUPAC Name1-(3-chlorothiophen-2-yl)-2-(2,5-difluorophenyl)ethanol
SMILESOC(Cc1cc(F)ccc1F)c1sccc1Cl
InChIInChI=1S/C12H9ClF2OS/c13-9-3-4-17-12(9)11(16)6-7-5-8(14)1-2-10(7)15/h1-5,11,16H,6H2
InChIKeyISQUINDOUSZHJH-UHFFFAOYSA-N
XLogP3.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.72
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorothiophen-2-yl)-2-(4-fluoro-2-methylphenyl)ethanol
CID 115838295
2-(2,5-difluorophenyl)-1-(3-ethylthiophen-2-yl)ethanol
CID 114982148
1-(3-chlorothiophen-2-yl)-2-(2,6-difluorophenyl)ethanol
CID 80529585
1-(2-chlorophenyl)-2-(2,5-difluorophenyl)ethanol
CID 62099435
3-chloro-2-[1-chloro-2-(2,4-difluorophenyl)ethyl]thiophene
CID 80530624
1-(3-chloro-2-fluorophenyl)-2-(2,5-difluorophenyl)ethanol
CID 64712609
1-(4-chloro-3-methylphenyl)-2-(2,5-difluorophenyl)ethanol
CID 114982155
1-(3-chlorothiophen-2-yl)-2-(2,6-dimethylphenyl)ethanol
CID 115828463
2-(2-chloro-4-fluorophenyl)-1-(4-chlorothiophen-2-yl)ethanol
CID 79427421
1-(3-bromothiophen-2-yl)-2-(2,5-dichlorophenyl)ethanol
CID 113298218
1-(3-chloro-4-methylthiophen-2-yl)-2-(2,4-difluorophenyl)ethanol
CID 103405659
3-amino-1-(3-chlorothiophen-2-yl)propan-1-ol
CID 80641547

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-2-(2,5-difluorophenyl)ethanol?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-2-(2,5-difluorophenyl)ethanol (CID 114982062) is 1-(3-chlorothiophen-2-yl)-2-(2,5-difluorophenyl)ethanol.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-2-(2,5-difluorophenyl)ethanol?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-2-(2,5-difluorophenyl)ethanol is OC(Cc1cc(F)ccc1F)c1sccc1Cl.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-2-(2,5-difluorophenyl)ethanol?
The InChIKey is ISQUINDOUSZHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF2OS/c13-9-3-4-17-12(9)11(16)6-7-5-8(14)1-2-10(7)15/h1-5,11,16H,6H2.
What are the key properties of 1-(3-chlorothiophen-2-yl)-2-(2,5-difluorophenyl)ethanol?
1-(3-chlorothiophen-2-yl)-2-(2,5-difluorophenyl)ethanol has a molecular weight of 274.72 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)-2-(2,5-difluorophenyl)ethanol is sourced from PubChem (CID 114982062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).