1-(1-fluoroethenyl)-4-(trifluoromethylsulfanyl)benzene

C9H6F4S — CID 145093427

IUPAC1-(1-fluoroethenyl)-4-(trifluoromethylsulfanyl)benzene
SMILESC=C(F)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C9H6F4S/c1-6(10)7-2-4-8(5-3-7)14-9(11,12)13/h2-5H,1H2
InChIKeyHOPOCZFOIRVDHP-UHFFFAOYSA-N
MW222.21 g/mol
LogP4.24
Rot. Bonds2

About 1-(1-fluoroethenyl)-4-(trifluoromethylsulfanyl)benzene

1-(1-fluoroethenyl)-4-(trifluoromethylsulfanyl)benzene (PubChem CID 145093427) has the molecular formula C9H6F4S and a molecular weight of 222.21 g/mol. Its IUPAC name is 1-(1-fluoroethenyl)-4-(trifluoromethylsulfanyl)benzene.

Molecular Properties

Compound Name1-(1-fluoroethenyl)-4-(trifluoromethylsulfanyl)benzene
PubChem CID145093427
Molecular FormulaC9H6F4S
Molecular Weight222.21 g/mol
Exact Mass222.01
IUPAC Name1-(1-fluoroethenyl)-4-(trifluoromethylsulfanyl)benzene
SMILESC=C(F)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C9H6F4S/c1-6(10)7-2-4-8(5-3-7)14-9(11,12)13/h2-5H,1H2
InChIKeyHOPOCZFOIRVDHP-UHFFFAOYSA-N
XLogP4.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-prop-1-en-2-yl-4-(trifluoromethylsulfanyl)benzene
CID 67046987
2-methyl-1-[4-(trifluoromethylsulfanyl)phenyl]prop-2-en-1-one
CID 146008520
(4-fluorophenyl)-[4-(trifluoromethylsulfanyl)phenyl]methanone
CID 3021172
1,2,3,4,5,6-hexakis[4-(trifluoromethylsulfanyl)phenyl]benzene
CID 162534995
1-[(1Z)-1-chloro-4-methylpenta-1,3-dienyl]-4-(trifluoromethylsulfanyl)benzene
CID 20502151
4-(trifluoromethylsulfanyl)aniline;hydrochloride
CID 71758701
1-tert-butyl-4-(trifluoromethylsulfanyl)benzene
CID 138974007
4-methyl-N'-[4-(trifluoromethylsulfanyl)benzoyl]benzohydrazide
CID 9086775
trifluoromethylsulfanylbenzene;hydrate
CID 174995188
1-methyl-4-(trifluoromethylsulfanyl)benzene;molecular fluorine;hydrofluoride
CID 167649765
N-fluoro-4-(trifluoromethylsulfanyl)aniline
CID 141223381
magnesium;1-methanidyl-4-(trifluoromethylsulfanyl)benzene;bromide
CID 133144331

Frequently Asked Questions

What is the IUPAC name of 1-(1-fluoroethenyl)-4-(trifluoromethylsulfanyl)benzene?
The IUPAC name of 1-(1-fluoroethenyl)-4-(trifluoromethylsulfanyl)benzene (CID 145093427) is 1-(1-fluoroethenyl)-4-(trifluoromethylsulfanyl)benzene.
What is the SMILES notation for 1-(1-fluoroethenyl)-4-(trifluoromethylsulfanyl)benzene?
The canonical SMILES for 1-(1-fluoroethenyl)-4-(trifluoromethylsulfanyl)benzene is C=C(F)c1ccc(SC(F)(F)F)cc1.
What is the InChIKey of 1-(1-fluoroethenyl)-4-(trifluoromethylsulfanyl)benzene?
The InChIKey is HOPOCZFOIRVDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F4S/c1-6(10)7-2-4-8(5-3-7)14-9(11,12)13/h2-5H,1H2.
What are the key properties of 1-(1-fluoroethenyl)-4-(trifluoromethylsulfanyl)benzene?
1-(1-fluoroethenyl)-4-(trifluoromethylsulfanyl)benzene has a molecular weight of 222.21 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-fluoroethenyl)-4-(trifluoromethylsulfanyl)benzene is sourced from PubChem (CID 145093427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).