2-[(2-fluorophenyl)sulfinylmethyl]oxane

C12H15FO2S — CID 64715839

IUPAC2-[(2-fluorophenyl)sulfinylmethyl]oxane
SMILESO=S(CC1CCCCO1)c1ccccc1F
InChIInChI=1S/C12H15FO2S/c13-11-6-1-2-7-12(11)16(14)9-10-5-3-4-8-15-10/h1-2,6-7,10H,3-5,8-9H2
InChIKeySZOGIHWCZLOBOB-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.50
Rot. Bonds3

About 2-[(2-fluorophenyl)sulfinylmethyl]oxane

2-[(2-fluorophenyl)sulfinylmethyl]oxane (PubChem CID 64715839) has the molecular formula C12H15FO2S and a molecular weight of 242.31 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)sulfinylmethyl]oxane.

Molecular Properties

Compound Name2-[(2-fluorophenyl)sulfinylmethyl]oxane
PubChem CID64715839
Molecular FormulaC12H15FO2S
Molecular Weight242.31 g/mol
Exact Mass242.08
IUPAC Name2-[(2-fluorophenyl)sulfinylmethyl]oxane
SMILESO=S(CC1CCCCO1)c1ccccc1F
InChIInChI=1S/C12H15FO2S/c13-11-6-1-2-7-12(11)16(14)9-10-5-3-4-8-15-10/h1-2,6-7,10H,3-5,8-9H2
InChIKeySZOGIHWCZLOBOB-UHFFFAOYSA-N
XLogP2.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Fluoro-3-(((3-fluorophenyl)sulfinyl)methyl)oxetane
CID 129038015
Tetrahydro-2-(phenylthio)-2H-pyran
CID 89408
2-(2-(Phenylsulfonyl)ethyl)oxirane
CID 11356304
4-Fluorophenyl 2-oxiranylmethyl sulfide
CID 588223
2-(Benzenesulfonyl)-3-propyloxirane
CID 14532897
2-[2-(Benzenesulfonyl)-2-fluoroethyl]-1,4-dioxane
CID 14593287
2-[(Phenylsulfanyl)methyl]tetrahydrofuran
CID 3337920
2-(Benzenesulfonyl)oxane
CID 3707989
2-[2-(Benzenesulfonyl)-1,1-difluoropropyl]-1,4-dioxane
CID 10542679
2-[2-(Benzenesulfonyl)-1,1-difluoropentyl]-1,4-dioxane
CID 10688148
1-(1-Butoxyethylsulfanyl)-4-fluorobenzene
CID 101898093
trans-(1S,2S)-2-[(S)-(4-fluorophenyl)sulfinyl]cyclohexan-1-ol
CID 139090414

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)sulfinylmethyl]oxane?
The IUPAC name of 2-[(2-fluorophenyl)sulfinylmethyl]oxane (CID 64715839) is 2-[(2-fluorophenyl)sulfinylmethyl]oxane.
What is the SMILES notation for 2-[(2-fluorophenyl)sulfinylmethyl]oxane?
The canonical SMILES for 2-[(2-fluorophenyl)sulfinylmethyl]oxane is O=S(CC1CCCCO1)c1ccccc1F.
What is the InChIKey of 2-[(2-fluorophenyl)sulfinylmethyl]oxane?
The InChIKey is SZOGIHWCZLOBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO2S/c13-11-6-1-2-7-12(11)16(14)9-10-5-3-4-8-15-10/h1-2,6-7,10H,3-5,8-9H2.
What are the key properties of 2-[(2-fluorophenyl)sulfinylmethyl]oxane?
2-[(2-fluorophenyl)sulfinylmethyl]oxane has a molecular weight of 242.31 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)sulfinylmethyl]oxane is sourced from PubChem (CID 64715839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).