3,3,3-trifluoro-2-methylsulfanylprop-1-ene

C4H5F3S — CID 123524871

IUPAC3,3,3-trifluoro-2-methylsulfanylprop-1-ene
SMILESC=C(SC)C(F)(F)F
InChIInChI=1S/C4H5F3S/c1-3(8-2)4(5,6)7/h1H2,2H3
InChIKeySZEZIXCTFYDQPC-UHFFFAOYSA-N
MW142.14 g/mol
LogP2.43
Rot. Bonds1

About 3,3,3-trifluoro-2-methylsulfanylprop-1-ene

3,3,3-trifluoro-2-methylsulfanylprop-1-ene (PubChem CID 123524871) has the molecular formula C4H5F3S and a molecular weight of 142.14 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-methylsulfanylprop-1-ene.

Molecular Properties

Compound Name3,3,3-trifluoro-2-methylsulfanylprop-1-ene
PubChem CID123524871
Molecular FormulaC4H5F3S
Molecular Weight142.14 g/mol
Exact Mass142.01
IUPAC Name3,3,3-trifluoro-2-methylsulfanylprop-1-ene
SMILESC=C(SC)C(F)(F)F
InChIInChI=1S/C4H5F3S/c1-3(8-2)4(5,6)7/h1H2,2H3
InChIKeySZEZIXCTFYDQPC-UHFFFAOYSA-N
XLogP2.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.14
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3,3,3-trifluoro-2-methylsulfanylprop-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

1,1,2-Trifluoro-3-methylsulfanylprop-1-ene
CID 21300324
1,1-Difluoro-3-methylsulfanylprop-1-ene
CID 87187755
1,1,1-Trifluoro-2-methylsulfanylbut-2-ene
CID 123471400
1,2-Difluoro-3-(fluoromethylsulfanyl)but-2-ene
CID 123527152
2-Ethenylsulfanyl-3,3,3-trifluoroprop-1-ene
CID 123843684
3,3,3-Trifluoro-2-prop-1-en-2-ylsulfanylprop-1-ene
CID 139572146
1-(Difluoromethylsulfanyl)propa-1,2-diene
CID 139911169
3,3,3-Trifluoro-2-(1-methylsulfanylethenylsulfanyl)prop-1-ene
CID 162612829
Dimethyl(2,3,3-trifluoroprop-2-enyl)sulfanium
CID 139727237
2-(Fluoromethylsulfanyl)prop-1-ene
CID 144439837
(Z)-1,1,1-trifluoro-3-methylsulfanylbut-2-ene
CID 148777638
2-Ethylsulfanyl-3,3,3-trifluoroprop-1-ene
CID 162597256

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-methylsulfanylprop-1-ene?
The IUPAC name of 3,3,3-trifluoro-2-methylsulfanylprop-1-ene (CID 123524871) is 3,3,3-trifluoro-2-methylsulfanylprop-1-ene.
What is the SMILES notation for 3,3,3-trifluoro-2-methylsulfanylprop-1-ene?
The canonical SMILES for 3,3,3-trifluoro-2-methylsulfanylprop-1-ene is C=C(SC)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-methylsulfanylprop-1-ene?
The InChIKey is SZEZIXCTFYDQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F3S/c1-3(8-2)4(5,6)7/h1H2,2H3.
What are the key properties of 3,3,3-trifluoro-2-methylsulfanylprop-1-ene?
3,3,3-trifluoro-2-methylsulfanylprop-1-ene has a molecular weight of 142.14 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-methylsulfanylprop-1-ene is sourced from PubChem (CID 123524871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).