(2-chloro-5-fluorophenyl)-(1,4-oxathian-2-yl)methanol

C11H12ClFO2S — CID 105394546

IUPAC(2-chloro-5-fluorophenyl)-(1,4-oxathian-2-yl)methanol
SMILESOC(c1cc(F)ccc1Cl)C1CSCCO1
InChIInChI=1S/C11H12ClFO2S/c12-9-2-1-7(13)5-8(9)11(14)10-6-16-4-3-15-10/h1-2,5,10-11,14H,3-4,6H2
InChIKeyMERRSCPHWUGYDD-UHFFFAOYSA-N
MW262.73 g/mol
LogP2.64
Rot. Bonds2

About (2-chloro-5-fluorophenyl)-(1,4-oxathian-2-yl)methanol

(2-chloro-5-fluorophenyl)-(1,4-oxathian-2-yl)methanol (PubChem CID 105394546) has the molecular formula C11H12ClFO2S and a molecular weight of 262.73 g/mol. Its IUPAC name is (2-chloro-5-fluorophenyl)-(1,4-oxathian-2-yl)methanol.

Molecular Properties

Compound Name(2-chloro-5-fluorophenyl)-(1,4-oxathian-2-yl)methanol
PubChem CID105394546
Molecular FormulaC11H12ClFO2S
Molecular Weight262.73 g/mol
Exact Mass262.02
IUPAC Name(2-chloro-5-fluorophenyl)-(1,4-oxathian-2-yl)methanol
SMILESOC(c1cc(F)ccc1Cl)C1CSCCO1
InChIInChI=1S/C11H12ClFO2S/c12-9-2-1-7(13)5-8(9)11(14)10-6-16-4-3-15-10/h1-2,5,10-11,14H,3-4,6H2
InChIKeyMERRSCPHWUGYDD-UHFFFAOYSA-N
XLogP2.64
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.73
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chloro-5-fluorophenyl)-(1,4-oxathian-2-yl)methanamine
CID 105395270
[2-(2-chloro-5-fluorophenyl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine
CID 102623389
(2-methylthiophen-3-yl)-(1,4-oxathian-2-yl)methanol
CID 102831462
2-(5-fluoro-2-methylphenyl)-1-(1,4-oxathian-2-yl)ethanol
CID 105373529
(4-bromothiophen-3-yl)-(1,4-oxathian-2-yl)methanol
CID 79962907
(3,5-dimethylphenyl)-(1,4-oxathian-2-yl)methanol
CID 79963902
2-(2-chloro-6-fluorophenyl)-1-(1,4-oxathian-2-yl)ethanol
CID 79963503
1,4-oxathian-2-yl-[3-(trifluoromethyl)phenyl]methanol
CID 79963910
naphthalen-2-yl(1,4-oxathian-2-yl)methanol
CID 79963790
(2-chloro-5-fluorophenyl)-(thiolan-3-yl)methanamine
CID 105397355
(2-chloro-5-fluorophenyl)methanediol
CID 71441110
2-(5-fluoro-2-methylphenyl)-1-(1,4-oxathian-2-yl)ethanamine
CID 105374163

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-fluorophenyl)-(1,4-oxathian-2-yl)methanol?
The IUPAC name of (2-chloro-5-fluorophenyl)-(1,4-oxathian-2-yl)methanol (CID 105394546) is (2-chloro-5-fluorophenyl)-(1,4-oxathian-2-yl)methanol.
What is the SMILES notation for (2-chloro-5-fluorophenyl)-(1,4-oxathian-2-yl)methanol?
The canonical SMILES for (2-chloro-5-fluorophenyl)-(1,4-oxathian-2-yl)methanol is OC(c1cc(F)ccc1Cl)C1CSCCO1.
What is the InChIKey of (2-chloro-5-fluorophenyl)-(1,4-oxathian-2-yl)methanol?
The InChIKey is MERRSCPHWUGYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFO2S/c12-9-2-1-7(13)5-8(9)11(14)10-6-16-4-3-15-10/h1-2,5,10-11,14H,3-4,6H2.
What are the key properties of (2-chloro-5-fluorophenyl)-(1,4-oxathian-2-yl)methanol?
(2-chloro-5-fluorophenyl)-(1,4-oxathian-2-yl)methanol has a molecular weight of 262.73 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-fluorophenyl)-(1,4-oxathian-2-yl)methanol is sourced from PubChem (CID 105394546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).