(E)-7,8-difluoro-2,5,6,9,10,13-hexamethyltetradec-4-ene

C20H38F2 — CID 144864514

IUPAC(E)-7,8-difluoro-2,5,6,9,10,13-hexamethyltetradec-4-ene
SMILESC/C(=C\CC(C)C)C(C)C(F)C(F)C(C)C(C)CCC(C)C
InChIInChI=1S/C20H38F2/c1-13(2)9-11-15(5)17(7)19(21)20(22)18(8)16(6)12-10-14(3)4/h11,13-14,16-20H,9-10,12H2,1-8H3/b15-11+
InChIKeyYDNYBWVXSUHIMG-RVDMUPIBSA-N
MW316.52 g/mol
LogP7.00
Rot. Bonds10

About (E)-7,8-difluoro-2,5,6,9,10,13-hexamethyltetradec-4-ene

(E)-7,8-difluoro-2,5,6,9,10,13-hexamethyltetradec-4-ene (PubChem CID 144864514) has the molecular formula C20H38F2 and a molecular weight of 316.52 g/mol. Its IUPAC name is (E)-7,8-difluoro-2,5,6,9,10,13-hexamethyltetradec-4-ene.

Molecular Properties

Compound Name(E)-7,8-difluoro-2,5,6,9,10,13-hexamethyltetradec-4-ene
PubChem CID144864514
Molecular FormulaC20H38F2
Molecular Weight316.52 g/mol
Exact Mass316.29
IUPAC Name(E)-7,8-difluoro-2,5,6,9,10,13-hexamethyltetradec-4-ene
SMILESC/C(=C\CC(C)C)C(C)C(F)C(F)C(C)C(C)CCC(C)C
InChIInChI=1S/C20H38F2/c1-13(2)9-11-15(5)17(7)19(21)20(22)18(8)16(6)12-10-14(3)4/h11,13-14,16-20H,9-10,12H2,1-8H3/b15-11+
InChIKeyYDNYBWVXSUHIMG-RVDMUPIBSA-N
XLogP7.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.52
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-7,8-difluoro-2,5,6,9,10,13-hexamethyltetradec-4-ene?
The IUPAC name of (E)-7,8-difluoro-2,5,6,9,10,13-hexamethyltetradec-4-ene (CID 144864514) is (E)-7,8-difluoro-2,5,6,9,10,13-hexamethyltetradec-4-ene.
What is the SMILES notation for (E)-7,8-difluoro-2,5,6,9,10,13-hexamethyltetradec-4-ene?
The canonical SMILES for (E)-7,8-difluoro-2,5,6,9,10,13-hexamethyltetradec-4-ene is C/C(=C\CC(C)C)C(C)C(F)C(F)C(C)C(C)CCC(C)C.
What is the InChIKey of (E)-7,8-difluoro-2,5,6,9,10,13-hexamethyltetradec-4-ene?
The InChIKey is YDNYBWVXSUHIMG-RVDMUPIBSA-N. The full InChI is InChI=1S/C20H38F2/c1-13(2)9-11-15(5)17(7)19(21)20(22)18(8)16(6)12-10-14(3)4/h11,13-14,16-20H,9-10,12H2,1-8H3/b15-11+.
What are the key properties of (E)-7,8-difluoro-2,5,6,9,10,13-hexamethyltetradec-4-ene?
(E)-7,8-difluoro-2,5,6,9,10,13-hexamethyltetradec-4-ene has a molecular weight of 316.52 g/mol, XLogP of 7.00, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7,8-difluoro-2,5,6,9,10,13-hexamethyltetradec-4-ene is sourced from PubChem (CID 144864514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).