1-methyl-4-[(E)-1,3,3,3-tetrafluoro-2-methylprop-1-enyl]sulfinylbenzene

C11H10F4OS — CID 139250759

IUPAC1-methyl-4-[(E)-1,3,3,3-tetrafluoro-2-methylprop-1-enyl]sulfinylbenzene
SMILESC/C(=C(/F)S(=O)c1ccc(C)cc1)C(F)(F)F
InChIInChI=1S/C11H10F4OS/c1-7-3-5-9(6-4-7)17(16)10(12)8(2)11(13,14)15/h3-6H,1-2H3/b10-8+
InChIKeyQBSPDQLKPYKSFY-CSKARUKUSA-N
MW266.26 g/mol
LogP3.87
Rot. Bonds2

About 1-methyl-4-[(E)-1,3,3,3-tetrafluoro-2-methylprop-1-enyl]sulfinylbenzene

1-methyl-4-[(E)-1,3,3,3-tetrafluoro-2-methylprop-1-enyl]sulfinylbenzene (PubChem CID 139250759) has the molecular formula C11H10F4OS and a molecular weight of 266.26 g/mol. Its IUPAC name is 1-methyl-4-[(E)-1,3,3,3-tetrafluoro-2-methylprop-1-enyl]sulfinylbenzene.

Molecular Properties

Compound Name1-methyl-4-[(E)-1,3,3,3-tetrafluoro-2-methylprop-1-enyl]sulfinylbenzene
PubChem CID139250759
Molecular FormulaC11H10F4OS
Molecular Weight266.26 g/mol
Exact Mass266.04
IUPAC Name1-methyl-4-[(E)-1,3,3,3-tetrafluoro-2-methylprop-1-enyl]sulfinylbenzene
SMILESC/C(=C(/F)S(=O)c1ccc(C)cc1)C(F)(F)F
InChIInChI=1S/C11H10F4OS/c1-7-3-5-9(6-4-7)17(16)10(12)8(2)11(13,14)15/h3-6H,1-2H3/b10-8+
InChIKeyQBSPDQLKPYKSFY-CSKARUKUSA-N
XLogP3.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1-fluoroethenylsulfinyl)-4-methylbenzene
CID 643270
1-[(S)-[(Z)-1-fluoropent-1-enyl]sulfinyl]-4-methylbenzene
CID 10561226
1-[(S)-[(E)-1-fluoropent-1-enyl]sulfinyl]-4-methylbenzene
CID 10585341
1,1,1-trifluoro-2-(4-methylphenyl)-3-(4-methylphenyl)sulfinylpropan-2-ol
CID 166447697
4-methylbenzenesulfinic acid;tetrahydrate
CID 155656454
ethyl (E)-3-(4-methylphenyl)sulfinylbut-2-enoate
CID 101158711
(2R)-1,1,1-trifluoro-3-(4-methylphenyl)sulfinylpropan-2-ol
CID 102096195
1-[(1Z)-1-chloro-2-methylbuta-1,3-dienyl]sulfinyl-4-methylbenzene
CID 101380718
ethane;1-methyl-4-(4-methylphenyl)sulfinylbenzene
CID 91610736
1-[(R)-[(E)-1-fluoro-2-(4-phenylphenyl)ethenyl]sulfinyl]-4-methylbenzene
CID 11914677
difluoromethylidene-fluoro-(4-methylphenyl)-lambda4-sulfane
CID 18717599
1-(2,2-dimethylpropylsulfinyl)-4-methylbenzene
CID 86203544

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(E)-1,3,3,3-tetrafluoro-2-methylprop-1-enyl]sulfinylbenzene?
The IUPAC name of 1-methyl-4-[(E)-1,3,3,3-tetrafluoro-2-methylprop-1-enyl]sulfinylbenzene (CID 139250759) is 1-methyl-4-[(E)-1,3,3,3-tetrafluoro-2-methylprop-1-enyl]sulfinylbenzene.
What is the SMILES notation for 1-methyl-4-[(E)-1,3,3,3-tetrafluoro-2-methylprop-1-enyl]sulfinylbenzene?
The canonical SMILES for 1-methyl-4-[(E)-1,3,3,3-tetrafluoro-2-methylprop-1-enyl]sulfinylbenzene is C/C(=C(/F)S(=O)c1ccc(C)cc1)C(F)(F)F.
What is the InChIKey of 1-methyl-4-[(E)-1,3,3,3-tetrafluoro-2-methylprop-1-enyl]sulfinylbenzene?
The InChIKey is QBSPDQLKPYKSFY-CSKARUKUSA-N. The full InChI is InChI=1S/C11H10F4OS/c1-7-3-5-9(6-4-7)17(16)10(12)8(2)11(13,14)15/h3-6H,1-2H3/b10-8+.
What are the key properties of 1-methyl-4-[(E)-1,3,3,3-tetrafluoro-2-methylprop-1-enyl]sulfinylbenzene?
1-methyl-4-[(E)-1,3,3,3-tetrafluoro-2-methylprop-1-enyl]sulfinylbenzene has a molecular weight of 266.26 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(E)-1,3,3,3-tetrafluoro-2-methylprop-1-enyl]sulfinylbenzene is sourced from PubChem (CID 139250759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).