4-(3,3,3-trifluoropropylsulfanyl)but-1-ene

C7H11F3S — CID 135230177

IUPAC4-(3,3,3-trifluoropropylsulfanyl)but-1-ene
SMILESC=CCCSCCC(F)(F)F
InChIInChI=1S/C7H11F3S/c1-2-3-5-11-6-4-7(8,9)10/h2H,1,3-6H2
InChIKeyLHPZMAGSRYFKJZ-UHFFFAOYSA-N
MW184.23 g/mol
LogP3.25
Rot. Bonds5

About 4-(3,3,3-trifluoropropylsulfanyl)but-1-ene

4-(3,3,3-trifluoropropylsulfanyl)but-1-ene (PubChem CID 135230177) has the molecular formula C7H11F3S and a molecular weight of 184.23 g/mol. Its IUPAC name is 4-(3,3,3-trifluoropropylsulfanyl)but-1-ene.

Molecular Properties

Compound Name4-(3,3,3-trifluoropropylsulfanyl)but-1-ene
PubChem CID135230177
Molecular FormulaC7H11F3S
Molecular Weight184.23 g/mol
Exact Mass184.05
IUPAC Name4-(3,3,3-trifluoropropylsulfanyl)but-1-ene
SMILESC=CCCSCCC(F)(F)F
InChIInChI=1S/C7H11F3S/c1-2-3-5-11-6-4-7(8,9)10/h2H,1,3-6H2
InChIKeyLHPZMAGSRYFKJZ-UHFFFAOYSA-N
XLogP3.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-(3,3,3-trifluoropropylsulfanyl)but-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-Difluoro-2,3-dihydrothiophene
CID 18975121
2-(Trifluoromethyl)-2,3-dihydrothiophene
CID 18975125
1,1,1-Trifluoro-3-prop-2-enylsulfanylpropane
CID 59366619
1,1-Difluoro-4-methylsulfanylbut-1-ene
CID 87187655
3-Fluoro-3-(1-fluoroprop-2-enylsulfanyl)prop-1-ene
CID 87583409
4-Ethylsulfanyl-1,1-difluorobut-1-ene
CID 91252705
5-Ethylsulfanyl-1,1-difluoropent-1-ene
CID 91425398
1,1,1-Trifluoro-4-propylsulfanylbut-2-ene
CID 91527042
1,1-Difluoro-4-propylsulfanylbut-1-ene
CID 91540228
3-(2,2,2-Trifluoroethylsulfanyl)prop-1-ene
CID 102119345
6-(Trifluoromethylsulfanyl)hex-1-ene
CID 125473360
4-(Trifluoromethylsulfanyl)but-1-ene
CID 141487415

Frequently Asked Questions

What is the IUPAC name of 4-(3,3,3-trifluoropropylsulfanyl)but-1-ene?
The IUPAC name of 4-(3,3,3-trifluoropropylsulfanyl)but-1-ene (CID 135230177) is 4-(3,3,3-trifluoropropylsulfanyl)but-1-ene.
What is the SMILES notation for 4-(3,3,3-trifluoropropylsulfanyl)but-1-ene?
The canonical SMILES for 4-(3,3,3-trifluoropropylsulfanyl)but-1-ene is C=CCCSCCC(F)(F)F.
What is the InChIKey of 4-(3,3,3-trifluoropropylsulfanyl)but-1-ene?
The InChIKey is LHPZMAGSRYFKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3S/c1-2-3-5-11-6-4-7(8,9)10/h2H,1,3-6H2.
What are the key properties of 4-(3,3,3-trifluoropropylsulfanyl)but-1-ene?
4-(3,3,3-trifluoropropylsulfanyl)but-1-ene has a molecular weight of 184.23 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3,3-trifluoropropylsulfanyl)but-1-ene is sourced from PubChem (CID 135230177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).