(4S)-4-(trifluoromethylsulfanyl)tetradec-1-ene

C15H27F3S — CID 132524330

IUPAC(4S)-4-(trifluoromethylsulfanyl)tetradec-1-ene
SMILESC=CC[C@H](CCCCCCCCCC)SC(F)(F)F
InChIInChI=1S/C15H27F3S/c1-3-5-6-7-8-9-10-11-13-14(12-4-2)19-15(16,17)18/h4,14H,2-3,5-13H2,1H3/t14-/m1/s1
InChIKeyNECLPELWDXVPHJ-CQSZACIVSA-N
MW296.44 g/mol
LogP6.71
Rot. Bonds12

About (4S)-4-(trifluoromethylsulfanyl)tetradec-1-ene

(4S)-4-(trifluoromethylsulfanyl)tetradec-1-ene (PubChem CID 132524330) has the molecular formula C15H27F3S and a molecular weight of 296.44 g/mol. Its IUPAC name is (4S)-4-(trifluoromethylsulfanyl)tetradec-1-ene.

Molecular Properties

Compound Name(4S)-4-(trifluoromethylsulfanyl)tetradec-1-ene
PubChem CID132524330
Molecular FormulaC15H27F3S
Molecular Weight296.44 g/mol
Exact Mass296.18
IUPAC Name(4S)-4-(trifluoromethylsulfanyl)tetradec-1-ene
SMILESC=CC[C@H](CCCCCCCCCC)SC(F)(F)F
InChIInChI=1S/C15H27F3S/c1-3-5-6-7-8-9-10-11-13-14(12-4-2)19-15(16,17)18/h4,14H,2-3,5-13H2,1H3/t14-/m1/s1
InChIKeyNECLPELWDXVPHJ-CQSZACIVSA-N
XLogP6.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.44
LogP ≤ 56.71
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 (4S)-4-(trifluoromethylsulfanyl)tetradec-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

(5R)-5-(trifluoromethylsulfanyl)pentadecane
CID 132524326
4-fluoropentadec-1-ene
CID 143980948
17-prop-2-enyltetratriacontane
CID 173452630
4-prop-2-enylpentadec-1-ene
CID 54427529
tridec-1-en-4-ylsulfanyl propanoate
CID 173011429
4,6-dimethyldodec-1-ene
CID 170848376
(4R)-dodec-1-en-4-ol
CID 11074077
2-prop-2-enyloctadecanal
CID 173235739
1,1,1-trifluoro-2-(trifluoromethyl)octane
CID 87708107
1,1,1-trifluoro-2-(trifluoromethyl)undecane
CID 150236240
4-propan-2-ylnon-1-ene
CID 173177475
5-prop-2-enyl-4-propyldec-1-ene
CID 173236567

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(trifluoromethylsulfanyl)tetradec-1-ene?
The IUPAC name of (4S)-4-(trifluoromethylsulfanyl)tetradec-1-ene (CID 132524330) is (4S)-4-(trifluoromethylsulfanyl)tetradec-1-ene.
What is the SMILES notation for (4S)-4-(trifluoromethylsulfanyl)tetradec-1-ene?
The canonical SMILES for (4S)-4-(trifluoromethylsulfanyl)tetradec-1-ene is C=CC[C@H](CCCCCCCCCC)SC(F)(F)F.
What is the InChIKey of (4S)-4-(trifluoromethylsulfanyl)tetradec-1-ene?
The InChIKey is NECLPELWDXVPHJ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H27F3S/c1-3-5-6-7-8-9-10-11-13-14(12-4-2)19-15(16,17)18/h4,14H,2-3,5-13H2,1H3/t14-/m1/s1.
What are the key properties of (4S)-4-(trifluoromethylsulfanyl)tetradec-1-ene?
(4S)-4-(trifluoromethylsulfanyl)tetradec-1-ene has a molecular weight of 296.44 g/mol, XLogP of 6.71, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(trifluoromethylsulfanyl)tetradec-1-ene is sourced from PubChem (CID 132524330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).