1-prop-1-en-2-yl-4-(trifluoromethylsulfanyl)benzene

C10H9F3S — CID 67046987

IUPAC1-prop-1-en-2-yl-4-(trifluoromethylsulfanyl)benzene
SMILESC=C(C)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C10H9F3S/c1-7(2)8-3-5-9(6-4-8)14-10(11,12)13/h3-6H,1H2,2H3
InChIKeyCLRPYTMXOBGRML-UHFFFAOYSA-N
MW218.24 g/mol
LogP4.33
Rot. Bonds2

About 1-prop-1-en-2-yl-4-(trifluoromethylsulfanyl)benzene

1-prop-1-en-2-yl-4-(trifluoromethylsulfanyl)benzene (PubChem CID 67046987) has the molecular formula C10H9F3S and a molecular weight of 218.24 g/mol. Its IUPAC name is 1-prop-1-en-2-yl-4-(trifluoromethylsulfanyl)benzene.

Molecular Properties

Compound Name1-prop-1-en-2-yl-4-(trifluoromethylsulfanyl)benzene
PubChem CID67046987
Molecular FormulaC10H9F3S
Molecular Weight218.24 g/mol
Exact Mass218.04
IUPAC Name1-prop-1-en-2-yl-4-(trifluoromethylsulfanyl)benzene
SMILESC=C(C)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C10H9F3S/c1-7(2)8-3-5-9(6-4-8)14-10(11,12)13/h3-6H,1H2,2H3
InChIKeyCLRPYTMXOBGRML-UHFFFAOYSA-N
XLogP4.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.24
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-prop-1-en-2-yl-4-(trifluoromethylsulfanyl)benzene?
The IUPAC name of 1-prop-1-en-2-yl-4-(trifluoromethylsulfanyl)benzene (CID 67046987) is 1-prop-1-en-2-yl-4-(trifluoromethylsulfanyl)benzene.
What is the SMILES notation for 1-prop-1-en-2-yl-4-(trifluoromethylsulfanyl)benzene?
The canonical SMILES for 1-prop-1-en-2-yl-4-(trifluoromethylsulfanyl)benzene is C=C(C)c1ccc(SC(F)(F)F)cc1.
What is the InChIKey of 1-prop-1-en-2-yl-4-(trifluoromethylsulfanyl)benzene?
The InChIKey is CLRPYTMXOBGRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3S/c1-7(2)8-3-5-9(6-4-8)14-10(11,12)13/h3-6H,1H2,2H3.
What are the key properties of 1-prop-1-en-2-yl-4-(trifluoromethylsulfanyl)benzene?
1-prop-1-en-2-yl-4-(trifluoromethylsulfanyl)benzene has a molecular weight of 218.24 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-1-en-2-yl-4-(trifluoromethylsulfanyl)benzene is sourced from PubChem (CID 67046987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).