3-propan-2-yl-3-(trifluoromethyl)undec-1-ene

C15H27F3 — CID 71419705

IUPAC3-propan-2-yl-3-(trifluoromethyl)undec-1-ene
SMILESC=CC(CCCCCCCC)(C(C)C)C(F)(F)F
InChIInChI=1S/C15H27F3/c1-5-7-8-9-10-11-12-14(6-2,13(3)4)15(16,17)18/h6,13H,2,5,7-12H2,1,3-4H3
InChIKeyBJQKCLRDXYOSRS-UHFFFAOYSA-N
MW264.37 g/mol
LogP6.13
Rot. Bonds9

About 3-propan-2-yl-3-(trifluoromethyl)undec-1-ene

3-propan-2-yl-3-(trifluoromethyl)undec-1-ene (PubChem CID 71419705) has the molecular formula C15H27F3 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-propan-2-yl-3-(trifluoromethyl)undec-1-ene.

Molecular Properties

Compound Name3-propan-2-yl-3-(trifluoromethyl)undec-1-ene
PubChem CID71419705
Molecular FormulaC15H27F3
Molecular Weight264.37 g/mol
Exact Mass264.21
IUPAC Name3-propan-2-yl-3-(trifluoromethyl)undec-1-ene
SMILESC=CC(CCCCCCCC)(C(C)C)C(F)(F)F
InChIInChI=1S/C15H27F3/c1-5-7-8-9-10-11-12-14(6-2,13(3)4)15(16,17)18/h6,13H,2,5,7-12H2,1,3-4H3
InChIKeyBJQKCLRDXYOSRS-UHFFFAOYSA-N
XLogP6.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.37
LogP ≤ 56.13
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-propan-2-yl-3-(trifluoromethyl)undec-1-ene?
The IUPAC name of 3-propan-2-yl-3-(trifluoromethyl)undec-1-ene (CID 71419705) is 3-propan-2-yl-3-(trifluoromethyl)undec-1-ene.
What is the SMILES notation for 3-propan-2-yl-3-(trifluoromethyl)undec-1-ene?
The canonical SMILES for 3-propan-2-yl-3-(trifluoromethyl)undec-1-ene is C=CC(CCCCCCCC)(C(C)C)C(F)(F)F.
What is the InChIKey of 3-propan-2-yl-3-(trifluoromethyl)undec-1-ene?
The InChIKey is BJQKCLRDXYOSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3/c1-5-7-8-9-10-11-12-14(6-2,13(3)4)15(16,17)18/h6,13H,2,5,7-12H2,1,3-4H3.
What are the key properties of 3-propan-2-yl-3-(trifluoromethyl)undec-1-ene?
3-propan-2-yl-3-(trifluoromethyl)undec-1-ene has a molecular weight of 264.37 g/mol, XLogP of 6.13, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-3-(trifluoromethyl)undec-1-ene is sourced from PubChem (CID 71419705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).