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

C13H23F3 — CID 71419707

IUPAC3-methyl-3-(trifluoromethyl)undec-1-ene
SMILESC=CC(C)(CCCCCCCC)C(F)(F)F
InChIInChI=1S/C13H23F3/c1-4-6-7-8-9-10-11-12(3,5-2)13(14,15)16/h5H,2,4,6-11H2,1,3H3
InChIKeyQVBQRSXWJRDNPT-UHFFFAOYSA-N
MW236.32 g/mol
LogP5.49
Rot. Bonds8

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

3-methyl-3-(trifluoromethyl)undec-1-ene (PubChem CID 71419707) has the molecular formula C13H23F3 and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-methyl-3-(trifluoromethyl)undec-1-ene.

Molecular Properties

Compound Name3-methyl-3-(trifluoromethyl)undec-1-ene
PubChem CID71419707
Molecular FormulaC13H23F3
Molecular Weight236.32 g/mol
Exact Mass236.18
IUPAC Name3-methyl-3-(trifluoromethyl)undec-1-ene
SMILESC=CC(C)(CCCCCCCC)C(F)(F)F
InChIInChI=1S/C13H23F3/c1-4-6-7-8-9-10-11-12(3,5-2)13(14,15)16/h5H,2,4,6-11H2,1,3H3
InChIKeyQVBQRSXWJRDNPT-UHFFFAOYSA-N
XLogP5.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.32
LogP ≤ 55.49
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(trifluoromethyl)undec-1-ene?
The IUPAC name of 3-methyl-3-(trifluoromethyl)undec-1-ene (CID 71419707) is 3-methyl-3-(trifluoromethyl)undec-1-ene.
What is the SMILES notation for 3-methyl-3-(trifluoromethyl)undec-1-ene?
The canonical SMILES for 3-methyl-3-(trifluoromethyl)undec-1-ene is C=CC(C)(CCCCCCCC)C(F)(F)F.
What is the InChIKey of 3-methyl-3-(trifluoromethyl)undec-1-ene?
The InChIKey is QVBQRSXWJRDNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3/c1-4-6-7-8-9-10-11-12(3,5-2)13(14,15)16/h5H,2,4,6-11H2,1,3H3.
What are the key properties of 3-methyl-3-(trifluoromethyl)undec-1-ene?
3-methyl-3-(trifluoromethyl)undec-1-ene has a molecular weight of 236.32 g/mol, XLogP of 5.49, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(trifluoromethyl)undec-1-ene is sourced from PubChem (CID 71419707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).