2-[4-(trifluoromethyl)phenyl]sulfinyloxetane

C10H9F3O2S — CID 135043561

IUPAC2-[4-(trifluoromethyl)phenyl]sulfinyloxetane
SMILESO=S(c1ccc(C(F)(F)F)cc1)C1CCO1
InChIInChI=1S/C10H9F3O2S/c11-10(12,13)7-1-3-8(4-2-7)16(14)9-5-6-15-9/h1-4,9H,5-6H2
InChIKeyFKBMTGQIDDPVNR-UHFFFAOYSA-N
MW250.24 g/mol
LogP2.56
Rot. Bonds2

About 2-[4-(trifluoromethyl)phenyl]sulfinyloxetane

2-[4-(trifluoromethyl)phenyl]sulfinyloxetane (PubChem CID 135043561) has the molecular formula C10H9F3O2S and a molecular weight of 250.24 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenyl]sulfinyloxetane.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenyl]sulfinyloxetane
PubChem CID135043561
Molecular FormulaC10H9F3O2S
Molecular Weight250.24 g/mol
Exact Mass250.03
IUPAC Name2-[4-(trifluoromethyl)phenyl]sulfinyloxetane
SMILESO=S(c1ccc(C(F)(F)F)cc1)C1CCO1
InChIInChI=1S/C10H9F3O2S/c11-10(12,13)7-1-3-8(4-2-7)16(14)9-5-6-15-9/h1-4,9H,5-6H2
InChIKeyFKBMTGQIDDPVNR-UHFFFAOYSA-N
XLogP2.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.24
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Ethanol, 2-[(4-methylphenyl)sulfonyl]-
CID 89682
3-Fluoro-3-(((3-fluorophenyl)sulfinyl)methyl)oxetane
CID 129038015
(4-Methylphenyl)sulfonylmethyl trifluoromethanesulfonate
CID 308723
1-(Difluoromethylsulfonyl)-4-methylbenzene
CID 2308715
1-(Methanesulfinyl)-4-(trifluoromethyl)benzene
CID 69016885
(6R)-6-(4-methylphenyl)sulfanyl-6-(trifluoromethyl)-2,5-dihydrothiopyran 1-oxide
CID 154712954
1-[(E)-2-phenylethenyl]sulfonyl-4-(trifluoromethyl)benzene
CID 5713004
1-(3-Fluoro-3-methylbutyl)sulfonyl-4-methylbenzene
CID 67852588
(e)-Trifluoromethyl-2-tosylethene
CID 70231762
1-Benzylsulfonyl-4-(trifluoromethyl)benzene
CID 71665003
3,3,3-Trifluoro-1-(p-tolylsulfonyl)-2-propanone
CID 72196320
1-(Difluoromethyl)-4-(methylsulfonyl)benzene
CID 118536990

Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenyl]sulfinyloxetane?
The IUPAC name of 2-[4-(trifluoromethyl)phenyl]sulfinyloxetane (CID 135043561) is 2-[4-(trifluoromethyl)phenyl]sulfinyloxetane.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenyl]sulfinyloxetane?
The canonical SMILES for 2-[4-(trifluoromethyl)phenyl]sulfinyloxetane is O=S(c1ccc(C(F)(F)F)cc1)C1CCO1.
What is the InChIKey of 2-[4-(trifluoromethyl)phenyl]sulfinyloxetane?
The InChIKey is FKBMTGQIDDPVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O2S/c11-10(12,13)7-1-3-8(4-2-7)16(14)9-5-6-15-9/h1-4,9H,5-6H2.
What are the key properties of 2-[4-(trifluoromethyl)phenyl]sulfinyloxetane?
2-[4-(trifluoromethyl)phenyl]sulfinyloxetane has a molecular weight of 250.24 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenyl]sulfinyloxetane is sourced from PubChem (CID 135043561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).