1-propyl-4-(trifluoromethylsulfanyl)benzene

C10H11F3S — CID 70828854

IUPAC1-propyl-4-(trifluoromethylsulfanyl)benzene
SMILESCCCc1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C10H11F3S/c1-2-3-8-4-6-9(7-5-8)14-10(11,12)13/h4-7H,2-3H2,1H3
InChIKeyHNJBTVACGCXNNV-UHFFFAOYSA-N
MW220.26 g/mol
LogP4.25
Rot. Bonds3

About 1-propyl-4-(trifluoromethylsulfanyl)benzene

1-propyl-4-(trifluoromethylsulfanyl)benzene (PubChem CID 70828854) has the molecular formula C10H11F3S and a molecular weight of 220.26 g/mol. Its IUPAC name is 1-propyl-4-(trifluoromethylsulfanyl)benzene.

Molecular Properties

Compound Name1-propyl-4-(trifluoromethylsulfanyl)benzene
PubChem CID70828854
Molecular FormulaC10H11F3S
Molecular Weight220.26 g/mol
Exact Mass220.05
IUPAC Name1-propyl-4-(trifluoromethylsulfanyl)benzene
SMILESCCCc1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C10H11F3S/c1-2-3-8-4-6-9(7-5-8)14-10(11,12)13/h4-7H,2-3H2,1H3
InChIKeyHNJBTVACGCXNNV-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[4-(trifluoromethylsulfanyl)phenyl]propanenitrile
CID 53434468
1-ethyl-4-[4-(trifluoromethylsulfanyl)phenoxy]benzene
CID 22968904
3-[4-(trifluoromethylsulfanyl)phenyl]propyl formate
CID 91576454
3-methyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pentan-3-amine
CID 106327870
2-propyl-5-(trifluoromethylsulfanyl)phenol
CID 11322305
1-[4-(trifluoromethylsulfanyl)phenyl]hexane-2,4-diol
CID 67794201
1-(2-phenoxyethyl)-4-(trifluoromethylsulfanyl)benzene
CID 71232059
1,1-dimethyl-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]hydrazine
CID 83006252
1-tert-butyl-4-(trifluoromethylsulfanyl)benzene
CID 138974007
1-(1,1,2,2,2-pentafluoroethyl)-4-propylbenzene
CID 71656112
1-fluoro-4-propylbenzene
CID 2737505
2-methyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]propan-1-amine
CID 29298157

Frequently Asked Questions

What is the IUPAC name of 1-propyl-4-(trifluoromethylsulfanyl)benzene?
The IUPAC name of 1-propyl-4-(trifluoromethylsulfanyl)benzene (CID 70828854) is 1-propyl-4-(trifluoromethylsulfanyl)benzene.
What is the SMILES notation for 1-propyl-4-(trifluoromethylsulfanyl)benzene?
The canonical SMILES for 1-propyl-4-(trifluoromethylsulfanyl)benzene is CCCc1ccc(SC(F)(F)F)cc1.
What is the InChIKey of 1-propyl-4-(trifluoromethylsulfanyl)benzene?
The InChIKey is HNJBTVACGCXNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3S/c1-2-3-8-4-6-9(7-5-8)14-10(11,12)13/h4-7H,2-3H2,1H3.
What are the key properties of 1-propyl-4-(trifluoromethylsulfanyl)benzene?
1-propyl-4-(trifluoromethylsulfanyl)benzene has a molecular weight of 220.26 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-4-(trifluoromethylsulfanyl)benzene is sourced from PubChem (CID 70828854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).