5-[(4-chlorophenyl)methoxymethyl]-3-fluorothiolan-2-ol

C12H14ClFO2S — CID 144573190

IUPAC5-[(4-chlorophenyl)methoxymethyl]-3-fluorothiolan-2-ol
SMILESOC1SC(COCc2ccc(Cl)cc2)CC1F
InChIInChI=1S/C12H14ClFO2S/c13-9-3-1-8(2-4-9)6-16-7-10-5-11(14)12(15)17-10/h1-4,10-12,15H,5-7H2
InChIKeyBSXRMLAGWNHWOU-UHFFFAOYSA-N
MW276.76 g/mol
LogP3.02
Rot. Bonds4

About 5-[(4-chlorophenyl)methoxymethyl]-3-fluorothiolan-2-ol

5-[(4-chlorophenyl)methoxymethyl]-3-fluorothiolan-2-ol (PubChem CID 144573190) has the molecular formula C12H14ClFO2S and a molecular weight of 276.76 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methoxymethyl]-3-fluorothiolan-2-ol.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methoxymethyl]-3-fluorothiolan-2-ol
PubChem CID144573190
Molecular FormulaC12H14ClFO2S
Molecular Weight276.76 g/mol
Exact Mass276.04
IUPAC Name5-[(4-chlorophenyl)methoxymethyl]-3-fluorothiolan-2-ol
SMILESOC1SC(COCc2ccc(Cl)cc2)CC1F
InChIInChI=1S/C12H14ClFO2S/c13-9-3-1-8(2-4-9)6-16-7-10-5-11(14)12(15)17-10/h1-4,10-12,15H,5-7H2
InChIKeyBSXRMLAGWNHWOU-UHFFFAOYSA-N
XLogP3.02
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.76
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-5-[(4-methylphenyl)methoxymethyl]thiolan-2-ol
CID 144573143
2-bromo-5-[(4-chlorophenyl)methoxymethyl]-3-fluorothiolane;(4-chlorophenyl)methanol
CID 144573183
(3S)-3-fluoro-2-methyl-5-[(4-methylphenyl)methoxymethyl]thiolane;(4-methylphenyl)methanol
CID 144573136
[(3R,4S,5R)-4-[(4-chlorophenyl)methoxy]-5-[(4-chlorophenyl)methoxymethyl]-3-fluorothiolan-2-yl] acetate
CID 118336357
[(5S)-3-fluoro-5-(phenylmethoxymethyl)thiolan-2-yl] acetate
CID 135013187
4-[(4-chlorophenyl)methoxymethyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 68714803
(4-fluoro-5-hydroxythiolan-2-yl)methyl 4-phenylbenzoate;4-phenylbenzoic acid
CID 144573268
2-fluoro-3-(phenylmethoxymethyl)cyclobutan-1-ol
CID 57425831
cyclohexyl 2-[(4-chlorophenyl)methoxymethyl]cyclopropane-1-carboxylate
CID 139988314
1-chloro-4-[(4-iodophenyl)methoxymethyl]benzene
CID 65490741
2-(phenylmethoxymethyl)thiirane
CID 12015177
4-(phenylmethoxymethyl)cyclopentane-1,2-diol
CID 12717277

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methoxymethyl]-3-fluorothiolan-2-ol?
The IUPAC name of 5-[(4-chlorophenyl)methoxymethyl]-3-fluorothiolan-2-ol (CID 144573190) is 5-[(4-chlorophenyl)methoxymethyl]-3-fluorothiolan-2-ol.
What is the SMILES notation for 5-[(4-chlorophenyl)methoxymethyl]-3-fluorothiolan-2-ol?
The canonical SMILES for 5-[(4-chlorophenyl)methoxymethyl]-3-fluorothiolan-2-ol is OC1SC(COCc2ccc(Cl)cc2)CC1F.
What is the InChIKey of 5-[(4-chlorophenyl)methoxymethyl]-3-fluorothiolan-2-ol?
The InChIKey is BSXRMLAGWNHWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFO2S/c13-9-3-1-8(2-4-9)6-16-7-10-5-11(14)12(15)17-10/h1-4,10-12,15H,5-7H2.
What are the key properties of 5-[(4-chlorophenyl)methoxymethyl]-3-fluorothiolan-2-ol?
5-[(4-chlorophenyl)methoxymethyl]-3-fluorothiolan-2-ol has a molecular weight of 276.76 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methoxymethyl]-3-fluorothiolan-2-ol is sourced from PubChem (CID 144573190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).