1-(3,3,3-trifluoroprop-1-enyl)-2-[2-(3,3,3-trifluoroprop-1-enyl)phenyl]sulfinylbenzene

C18H12F6OS — CID 173411062

IUPAC1-(3,3,3-trifluoroprop-1-enyl)-2-[2-(3,3,3-trifluoroprop-1-enyl)phenyl]sulfinylbenzene
SMILESO=S(c1ccccc1C=CC(F)(F)F)c1ccccc1C=CC(F)(F)F
InChIInChI=1S/C18H12F6OS/c19-17(20,21)11-9-13-5-1-3-7-15(13)26(25)16-8-4-2-6-14(16)10-12-18(22,23)24/h1-12H
InChIKeyUBMKFPQWKJXWEP-UHFFFAOYSA-N
MW390.35 g/mol
LogP6.00
Rot. Bonds4

About 1-(3,3,3-trifluoroprop-1-enyl)-2-[2-(3,3,3-trifluoroprop-1-enyl)phenyl]sulfinylbenzene

1-(3,3,3-trifluoroprop-1-enyl)-2-[2-(3,3,3-trifluoroprop-1-enyl)phenyl]sulfinylbenzene (PubChem CID 173411062) has the molecular formula C18H12F6OS and a molecular weight of 390.35 g/mol. Its IUPAC name is 1-(3,3,3-trifluoroprop-1-enyl)-2-[2-(3,3,3-trifluoroprop-1-enyl)phenyl]sulfinylbenzene.

Molecular Properties

Compound Name1-(3,3,3-trifluoroprop-1-enyl)-2-[2-(3,3,3-trifluoroprop-1-enyl)phenyl]sulfinylbenzene
PubChem CID173411062
Molecular FormulaC18H12F6OS
Molecular Weight390.35 g/mol
Exact Mass390.05
IUPAC Name1-(3,3,3-trifluoroprop-1-enyl)-2-[2-(3,3,3-trifluoroprop-1-enyl)phenyl]sulfinylbenzene
SMILESO=S(c1ccccc1C=CC(F)(F)F)c1ccccc1C=CC(F)(F)F
InChIInChI=1S/C18H12F6OS/c19-17(20,21)11-9-13-5-1-3-7-15(13)26(25)16-8-4-2-6-14(16)10-12-18(22,23)24/h1-12H
InChIKeyUBMKFPQWKJXWEP-UHFFFAOYSA-N
XLogP6.00
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.35
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(3,3,3-trifluoroprop-1-enyl)-2-[2-(3,3,3-trifluoroprop-1-enyl)phenyl]sulfinylbenzene with MolForge

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Related Compounds

2-(3,5-dichlorophenyl)-1-[2-(3,5-dichlorophenyl)-3-[(E)-3,3,3-trifluoroprop-1-enyl]phenyl]sulfinyl-3-[(E)-3,3,3-trifluoroprop-1-enyl]benzene
CID 141395005
1-chloro-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene
CID 12700740
2-[(E)-3,3,3-trifluoroprop-1-enyl]benzoic acid
CID 125476108
2-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide
CID 69287667
1-phenyl-2,3-bis(3,3,3-trifluoroprop-1-enyl)benzene
CID 174719569
2-[2-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfinylpyridine
CID 53359597
[(S)-[(Z)-3,3,3-trifluoroprop-1-enyl]sulfinyl]benzene
CID 134889626
2-(benzenesulfinyl)benzaldehyde
CID 86079855
1,4-bis(3,3,3-trifluoroprop-1-enyl)benzene
CID 162618541
1-ethenyl-2-methylsulfinylbenzene
CID 10881174
sodium;2-ethenylbenzenesulfinic acid;hydride
CID 174388285
(E)-3-(2-naphthalen-2-ylsulfinylphenyl)prop-2-enoate
CID 21198728

Frequently Asked Questions

What is the IUPAC name of 1-(3,3,3-trifluoroprop-1-enyl)-2-[2-(3,3,3-trifluoroprop-1-enyl)phenyl]sulfinylbenzene?
The IUPAC name of 1-(3,3,3-trifluoroprop-1-enyl)-2-[2-(3,3,3-trifluoroprop-1-enyl)phenyl]sulfinylbenzene (CID 173411062) is 1-(3,3,3-trifluoroprop-1-enyl)-2-[2-(3,3,3-trifluoroprop-1-enyl)phenyl]sulfinylbenzene.
What is the SMILES notation for 1-(3,3,3-trifluoroprop-1-enyl)-2-[2-(3,3,3-trifluoroprop-1-enyl)phenyl]sulfinylbenzene?
The canonical SMILES for 1-(3,3,3-trifluoroprop-1-enyl)-2-[2-(3,3,3-trifluoroprop-1-enyl)phenyl]sulfinylbenzene is O=S(c1ccccc1C=CC(F)(F)F)c1ccccc1C=CC(F)(F)F.
What is the InChIKey of 1-(3,3,3-trifluoroprop-1-enyl)-2-[2-(3,3,3-trifluoroprop-1-enyl)phenyl]sulfinylbenzene?
The InChIKey is UBMKFPQWKJXWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F6OS/c19-17(20,21)11-9-13-5-1-3-7-15(13)26(25)16-8-4-2-6-14(16)10-12-18(22,23)24/h1-12H.
What are the key properties of 1-(3,3,3-trifluoroprop-1-enyl)-2-[2-(3,3,3-trifluoroprop-1-enyl)phenyl]sulfinylbenzene?
1-(3,3,3-trifluoroprop-1-enyl)-2-[2-(3,3,3-trifluoroprop-1-enyl)phenyl]sulfinylbenzene has a molecular weight of 390.35 g/mol, XLogP of 6.00, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,3-trifluoroprop-1-enyl)-2-[2-(3,3,3-trifluoroprop-1-enyl)phenyl]sulfinylbenzene is sourced from PubChem (CID 173411062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).