1-cyclopropylsulfanyl-3-(trifluoromethyl)benzene

C10H9F3S — CID 23331546

IUPAC1-cyclopropylsulfanyl-3-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cccc(SC2CC2)c1
InChIInChI=1S/C10H9F3S/c11-10(12,13)7-2-1-3-9(6-7)14-8-4-5-8/h1-3,6,8H,4-5H2
InChIKeyLZLAIDZZOBESKK-UHFFFAOYSA-N
MW218.24 g/mol
LogP3.96
Rot. Bonds2

About 1-cyclopropylsulfanyl-3-(trifluoromethyl)benzene

1-cyclopropylsulfanyl-3-(trifluoromethyl)benzene (PubChem CID 23331546) has the molecular formula C10H9F3S and a molecular weight of 218.24 g/mol. Its IUPAC name is 1-cyclopropylsulfanyl-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-cyclopropylsulfanyl-3-(trifluoromethyl)benzene
PubChem CID23331546
Molecular FormulaC10H9F3S
Molecular Weight218.24 g/mol
Exact Mass218.04
IUPAC Name1-cyclopropylsulfanyl-3-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cccc(SC2CC2)c1
InChIInChI=1S/C10H9F3S/c11-10(12,13)7-2-1-3-9(6-7)14-8-4-5-8/h1-3,6,8H,4-5H2
InChIKeyLZLAIDZZOBESKK-UHFFFAOYSA-N
XLogP3.96
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 ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Benzene, 1-methyl-3-(methylthio)-
CID 21005
Benzyl phenyl sulfide
CID 13255
4-(Ethylthio)toluene
CID 136431
Benzyl 2,2,2-trifluoroethyl sulfide
CID 2737790
4-(Trifluoromethylthio)toluene
CID 2777908
(((Difluoromethyl)sulfanyl)methyl)benzene
CID 11557371
1,1,1-Trifluoro-3-(3-methylphenyl)sulfanylpropan-2-one
CID 66465190
1-Methyl-4-[[4-(trifluoromethyl)phenyl]methylsulfanyl]benzene
CID 2743786
Benzene, 1-(ethylthio)-3-methyl-
CID 141922
2-Trifluoromethylthioanisole
CID 2760783
Benzyl trifluoromethyl sulfide
CID 3782775
Propyl P-tolyl sulfide
CID 597180

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylsulfanyl-3-(trifluoromethyl)benzene?
The IUPAC name of 1-cyclopropylsulfanyl-3-(trifluoromethyl)benzene (CID 23331546) is 1-cyclopropylsulfanyl-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-cyclopropylsulfanyl-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-cyclopropylsulfanyl-3-(trifluoromethyl)benzene is FC(F)(F)c1cccc(SC2CC2)c1.
What is the InChIKey of 1-cyclopropylsulfanyl-3-(trifluoromethyl)benzene?
The InChIKey is LZLAIDZZOBESKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3S/c11-10(12,13)7-2-1-3-9(6-7)14-8-4-5-8/h1-3,6,8H,4-5H2.
What are the key properties of 1-cyclopropylsulfanyl-3-(trifluoromethyl)benzene?
1-cyclopropylsulfanyl-3-(trifluoromethyl)benzene has a molecular weight of 218.24 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylsulfanyl-3-(trifluoromethyl)benzene is sourced from PubChem (CID 23331546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).