1-(4-chloro-2,5-difluorophenyl)-2-(5-chlorothiophen-2-yl)ethanol

C12H8Cl2F2OS — CID 115786109

IUPAC1-(4-chloro-2,5-difluorophenyl)-2-(5-chlorothiophen-2-yl)ethanol
SMILESOC(Cc1ccc(Cl)s1)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C12H8Cl2F2OS/c13-8-5-9(15)7(4-10(8)16)11(17)3-6-1-2-12(14)18-6/h1-2,4-5,11,17H,3H2
InChIKeyGRMOOAVCMSQNPL-UHFFFAOYSA-N
MW309.16 g/mol
LogP4.61
Rot. Bonds3

About 1-(4-chloro-2,5-difluorophenyl)-2-(5-chlorothiophen-2-yl)ethanol

1-(4-chloro-2,5-difluorophenyl)-2-(5-chlorothiophen-2-yl)ethanol (PubChem CID 115786109) has the molecular formula C12H8Cl2F2OS and a molecular weight of 309.16 g/mol. Its IUPAC name is 1-(4-chloro-2,5-difluorophenyl)-2-(5-chlorothiophen-2-yl)ethanol.

Molecular Properties

Compound Name1-(4-chloro-2,5-difluorophenyl)-2-(5-chlorothiophen-2-yl)ethanol
PubChem CID115786109
Molecular FormulaC12H8Cl2F2OS
Molecular Weight309.16 g/mol
Exact Mass307.96
IUPAC Name1-(4-chloro-2,5-difluorophenyl)-2-(5-chlorothiophen-2-yl)ethanol
SMILESOC(Cc1ccc(Cl)s1)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C12H8Cl2F2OS/c13-8-5-9(15)7(4-10(8)16)11(17)3-6-1-2-12(14)18-6/h1-2,4-5,11,17H,3H2
InChIKeyGRMOOAVCMSQNPL-UHFFFAOYSA-N
XLogP4.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-chloro-2,5-difluorophenyl)-2-(5-chlorothiophen-2-yl)ethyl]propan-1-amine
CID 115841882
2-(5-chlorothiophen-2-yl)-1-(4-fluoro-2-iodophenyl)ethanol
CID 114030376
1-(4-chloro-2,5-difluorophenyl)-2-(3-chloro-4-pyridinyl)ethanol
CID 112655781
2-(2-bromo-4-fluorophenyl)-1-(4-chloro-2,5-difluorophenyl)ethanol
CID 115786975
1-(4-chloro-2,5-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105377673
1-(4-chloro-2,5-difluorophenyl)-2-(2,6-dimethylphenyl)ethanol
CID 115828495
2-(3-bromothiophen-2-yl)-1-(4-chloro-2,5-difluorophenyl)ethanol
CID 115790919
1-(5-chloro-2-methoxyphenyl)-2-(5-chlorothiophen-2-yl)ethanol
CID 115786093
2-(5-chlorothiophen-2-yl)-1-(2,6-dichlorophenyl)ethanol
CID 65150596
1-(2-bromophenyl)-2-(5-chlorothiophen-2-yl)ethanol
CID 62608628
2-(5-bromothiophen-2-yl)-1-(4-chloro-2-fluorophenyl)ethanol
CID 63083123
2-(5-chlorothiophen-2-yl)-1-(2-ethylphenyl)ethanol
CID 65150095

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,5-difluorophenyl)-2-(5-chlorothiophen-2-yl)ethanol?
The IUPAC name of 1-(4-chloro-2,5-difluorophenyl)-2-(5-chlorothiophen-2-yl)ethanol (CID 115786109) is 1-(4-chloro-2,5-difluorophenyl)-2-(5-chlorothiophen-2-yl)ethanol.
What is the SMILES notation for 1-(4-chloro-2,5-difluorophenyl)-2-(5-chlorothiophen-2-yl)ethanol?
The canonical SMILES for 1-(4-chloro-2,5-difluorophenyl)-2-(5-chlorothiophen-2-yl)ethanol is OC(Cc1ccc(Cl)s1)c1cc(F)c(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2,5-difluorophenyl)-2-(5-chlorothiophen-2-yl)ethanol?
The InChIKey is GRMOOAVCMSQNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2F2OS/c13-8-5-9(15)7(4-10(8)16)11(17)3-6-1-2-12(14)18-6/h1-2,4-5,11,17H,3H2.
What are the key properties of 1-(4-chloro-2,5-difluorophenyl)-2-(5-chlorothiophen-2-yl)ethanol?
1-(4-chloro-2,5-difluorophenyl)-2-(5-chlorothiophen-2-yl)ethanol has a molecular weight of 309.16 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,5-difluorophenyl)-2-(5-chlorothiophen-2-yl)ethanol is sourced from PubChem (CID 115786109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).