3-ethyl-3-(trifluoromethyl)undec-1-ene

C14H25F3 — CID 71419706

IUPAC3-ethyl-3-(trifluoromethyl)undec-1-ene
SMILESC=CC(CC)(CCCCCCCC)C(F)(F)F
InChIInChI=1S/C14H25F3/c1-4-7-8-9-10-11-12-13(5-2,6-3)14(15,16)17/h5H,2,4,6-12H2,1,3H3
InChIKeyYCNSPNCDQSUZHC-UHFFFAOYSA-N
MW250.35 g/mol
LogP5.88
Rot. Bonds9

About 3-ethyl-3-(trifluoromethyl)undec-1-ene

3-ethyl-3-(trifluoromethyl)undec-1-ene (PubChem CID 71419706) has the molecular formula C14H25F3 and a molecular weight of 250.35 g/mol. Its IUPAC name is 3-ethyl-3-(trifluoromethyl)undec-1-ene.

Molecular Properties

Compound Name3-ethyl-3-(trifluoromethyl)undec-1-ene
PubChem CID71419706
Molecular FormulaC14H25F3
Molecular Weight250.35 g/mol
Exact Mass250.19
IUPAC Name3-ethyl-3-(trifluoromethyl)undec-1-ene
SMILESC=CC(CC)(CCCCCCCC)C(F)(F)F
InChIInChI=1S/C14H25F3/c1-4-7-8-9-10-11-12-13(5-2,6-3)14(15,16)17/h5H,2,4,6-12H2,1,3H3
InChIKeyYCNSPNCDQSUZHC-UHFFFAOYSA-N
XLogP5.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.35
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3-ethyl-3-(trifluoromethyl)undec-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

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-(trifluoromethyl)undec-1-ene?
The IUPAC name of 3-ethyl-3-(trifluoromethyl)undec-1-ene (CID 71419706) is 3-ethyl-3-(trifluoromethyl)undec-1-ene.
What is the SMILES notation for 3-ethyl-3-(trifluoromethyl)undec-1-ene?
The canonical SMILES for 3-ethyl-3-(trifluoromethyl)undec-1-ene is C=CC(CC)(CCCCCCCC)C(F)(F)F.
What is the InChIKey of 3-ethyl-3-(trifluoromethyl)undec-1-ene?
The InChIKey is YCNSPNCDQSUZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3/c1-4-7-8-9-10-11-12-13(5-2,6-3)14(15,16)17/h5H,2,4,6-12H2,1,3H3.
What are the key properties of 3-ethyl-3-(trifluoromethyl)undec-1-ene?
3-ethyl-3-(trifluoromethyl)undec-1-ene has a molecular weight of 250.35 g/mol, XLogP of 5.88, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-(trifluoromethyl)undec-1-ene is sourced from PubChem (CID 71419706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).