2-[4-(trifluoromethyl)phenyl]sulfanyloxolane

C11H11F3OS — CID 121222703

IUPAC2-[4-(trifluoromethyl)phenyl]sulfanyloxolane
SMILESFC(F)(F)c1ccc(SC2CCCO2)cc1
InChIInChI=1S/C11H11F3OS/c12-11(13,14)8-3-5-9(6-4-8)16-10-2-1-7-15-10/h3-6,10H,1-2,7H2
InChIKeyMKKJZJKHKKEBMW-UHFFFAOYSA-N
MW248.27 g/mol
LogP3.93
Rot. Bonds2

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

2-[4-(trifluoromethyl)phenyl]sulfanyloxolane (PubChem CID 121222703) has the molecular formula C11H11F3OS and a molecular weight of 248.27 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenyl]sulfanyloxolane.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenyl]sulfanyloxolane
PubChem CID121222703
Molecular FormulaC11H11F3OS
Molecular Weight248.27 g/mol
Exact Mass248.05
IUPAC Name2-[4-(trifluoromethyl)phenyl]sulfanyloxolane
SMILESFC(F)(F)c1ccc(SC2CCCO2)cc1
InChIInChI=1S/C11H11F3OS/c12-11(13,14)8-3-5-9(6-4-8)16-10-2-1-7-15-10/h3-6,10H,1-2,7H2
InChIKeyMKKJZJKHKKEBMW-UHFFFAOYSA-N
XLogP3.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1-Trifluoro-3-(4-methylphenyl)sulfanylpropan-2-one
CID 60722950
[(3,3,3-Trifluoro-1-propen-1-yl)thio]toluene
CID 16720496
Benzene, 1-methyl-4-[(2,2,2-trifluoroethyl)thio]-
CID 10703466
1-Propan-2-ylsulfanyl-4-(trifluoromethyl)benzene
CID 21805888
(4-Trifluoromethyl-phenylsulfanyl)-acetic acid ethyl ester
CID 58198439
3-(4'-Butylphenylthio)-1,1,1-trifluoropropan-2-one
CID 127359
1-(3-Ethoxy-1-fluoropropyl)sulfonyl-4-methylbenzene
CID 121008073
(4-(Difluoromethyl)phenyl)(ethyl)sulfane
CID 124201568
1-Methyl-4-[3-(trifluoromethylsulfanyl)propylsulfanyl]benzene
CID 125500657
1-[4-(Trifluoromethyl)phenyl]thiolan-1-ium
CID 134860256
chloro-[[(2R,4R,5S)-4-fluoro-5-[(4-methylphenyl)sulfinylmethyl]oxolan-2-yl]methyl]mercury
CID 134880965
(2R)-2-(2,2-difluoroethyl)-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxirane
CID 134928053

Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenyl]sulfanyloxolane?
The IUPAC name of 2-[4-(trifluoromethyl)phenyl]sulfanyloxolane (CID 121222703) is 2-[4-(trifluoromethyl)phenyl]sulfanyloxolane.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenyl]sulfanyloxolane?
The canonical SMILES for 2-[4-(trifluoromethyl)phenyl]sulfanyloxolane is FC(F)(F)c1ccc(SC2CCCO2)cc1.
What is the InChIKey of 2-[4-(trifluoromethyl)phenyl]sulfanyloxolane?
The InChIKey is MKKJZJKHKKEBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3OS/c12-11(13,14)8-3-5-9(6-4-8)16-10-2-1-7-15-10/h3-6,10H,1-2,7H2.
What are the key properties of 2-[4-(trifluoromethyl)phenyl]sulfanyloxolane?
2-[4-(trifluoromethyl)phenyl]sulfanyloxolane has a molecular weight of 248.27 g/mol, XLogP of 3.93, 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]sulfanyloxolane is sourced from PubChem (CID 121222703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).