2-(2-chloro-6-fluorophenyl)-1-(1,4-oxathian-2-yl)ethanol

C12H14ClFO2S — CID 79963503

IUPAC2-(2-chloro-6-fluorophenyl)-1-(1,4-oxathian-2-yl)ethanol
SMILESOC(Cc1c(F)cccc1Cl)C1CSCCO1
InChIInChI=1S/C12H14ClFO2S/c13-9-2-1-3-10(14)8(9)6-11(15)12-7-17-5-4-16-12/h1-3,11-12,15H,4-7H2
InChIKeyPILMRNRRSWETCS-UHFFFAOYSA-N
MW276.76 g/mol
LogP2.51
Rot. Bonds3

About 2-(2-chloro-6-fluorophenyl)-1-(1,4-oxathian-2-yl)ethanol

2-(2-chloro-6-fluorophenyl)-1-(1,4-oxathian-2-yl)ethanol (PubChem CID 79963503) has the molecular formula C12H14ClFO2S and a molecular weight of 276.76 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-(1,4-oxathian-2-yl)ethanol.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-(1,4-oxathian-2-yl)ethanol
PubChem CID79963503
Molecular FormulaC12H14ClFO2S
Molecular Weight276.76 g/mol
Exact Mass276.04
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-(1,4-oxathian-2-yl)ethanol
SMILESOC(Cc1c(F)cccc1Cl)C1CSCCO1
InChIInChI=1S/C12H14ClFO2S/c13-9-2-1-3-10(14)8(9)6-11(15)12-7-17-5-4-16-12/h1-3,11-12,15H,4-7H2
InChIKeyPILMRNRRSWETCS-UHFFFAOYSA-N
XLogP2.51
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.76
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-dichlorophenyl)-1-(oxolan-2-yl)ethanol
CID 65331137
2-(3-bromophenyl)-1-(1,4-oxathian-2-yl)ethanol
CID 79963285
2-(2-chloro-6-fluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106444534
1-(1,4-oxathian-2-yl)-2-quinolin-2-ylethanol
CID 79963796
2-(2,3-dihydro-1H-inden-5-yl)-1-(1,4-oxathian-2-yl)ethanol
CID 79962796
2-(2-chloro-6-fluorophenyl)-1-cyclopropylethanamine
CID 61078474
(2S)-2-amino-3-(2-chloro-6-fluorophenyl)propan-1-ol
CID 28804612
4-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]oxane
CID 63016065
2-[(2-chloro-6-fluorophenyl)methyl]oxirane
CID 87314733
3-(2-chloro-6-fluorophenyl)-2-methylpropan-1-ol
CID 66059359
(2-chloro-5-fluorophenyl)-(1,4-oxathian-2-yl)methanamine
CID 105395270
2-(2-chloro-6-fluorophenyl)-1-(5-chlorothiophen-2-yl)ethanol
CID 61087611

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(1,4-oxathian-2-yl)ethanol?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(1,4-oxathian-2-yl)ethanol (CID 79963503) is 2-(2-chloro-6-fluorophenyl)-1-(1,4-oxathian-2-yl)ethanol.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-(1,4-oxathian-2-yl)ethanol?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-(1,4-oxathian-2-yl)ethanol is OC(Cc1c(F)cccc1Cl)C1CSCCO1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-(1,4-oxathian-2-yl)ethanol?
The InChIKey is PILMRNRRSWETCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFO2S/c13-9-2-1-3-10(14)8(9)6-11(15)12-7-17-5-4-16-12/h1-3,11-12,15H,4-7H2.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-(1,4-oxathian-2-yl)ethanol?
2-(2-chloro-6-fluorophenyl)-1-(1,4-oxathian-2-yl)ethanol has a molecular weight of 276.76 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1-(1,4-oxathian-2-yl)ethanol is sourced from PubChem (CID 79963503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).