3-(difluoromethylidene)-1-ethoxypentane;ethane;propane

C13H28F2O — CID 144519440

IUPAC3-(difluoromethylidene)-1-ethoxypentane;ethane;propane
SMILESCC.CCC.CCOCCC(CC)=C(F)F
InChIInChI=1S/C8H14F2O.C3H8.C2H6/c1-3-7(8(9)10)5-6-11-4-2;1-3-2;1-2/h3-6H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyHEEOTHXESLZUMR-UHFFFAOYSA-N
MW238.36 g/mol
LogP5.42
Rot. Bonds5

About 3-(difluoromethylidene)-1-ethoxypentane;ethane;propane

3-(difluoromethylidene)-1-ethoxypentane;ethane;propane (PubChem CID 144519440) has the molecular formula C13H28F2O and a molecular weight of 238.36 g/mol. Its IUPAC name is 3-(difluoromethylidene)-1-ethoxypentane;ethane;propane.

Molecular Properties

Compound Name3-(difluoromethylidene)-1-ethoxypentane;ethane;propane
PubChem CID144519440
Molecular FormulaC13H28F2O
Molecular Weight238.36 g/mol
Exact Mass238.21
IUPAC Name3-(difluoromethylidene)-1-ethoxypentane;ethane;propane
SMILESCC.CCC.CCOCCC(CC)=C(F)F
InChIInChI=1S/C8H14F2O.C3H8.C2H6/c1-3-7(8(9)10)5-6-11-4-2;1-3-2;1-2/h3-6H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyHEEOTHXESLZUMR-UHFFFAOYSA-N
XLogP5.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.36
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Ethoxy-1,1-difluoro-2-methylbut-1-ene
CID 117734357
4-(Difluoromethylidene)oxane
CID 140046485
3-(Difluoromethylidene)-1-methoxy-4-methylpentane
CID 144519449
5-Ethoxy-4,4-difluoro-2-methylpent-1-ene
CID 163738849
3-(Difluoromethylidene)-1-ethoxy-4,4-dimethylpentane
CID 144519436
3-(Difluoromethylidene)-1-ethoxypentane
CID 144519441
3-(Difluoromethylidene)-1-ethoxy-4,4-dimethylpentane;ethane
CID 144519435

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethylidene)-1-ethoxypentane;ethane;propane?
The IUPAC name of 3-(difluoromethylidene)-1-ethoxypentane;ethane;propane (CID 144519440) is 3-(difluoromethylidene)-1-ethoxypentane;ethane;propane.
What is the SMILES notation for 3-(difluoromethylidene)-1-ethoxypentane;ethane;propane?
The canonical SMILES for 3-(difluoromethylidene)-1-ethoxypentane;ethane;propane is CC.CCC.CCOCCC(CC)=C(F)F.
What is the InChIKey of 3-(difluoromethylidene)-1-ethoxypentane;ethane;propane?
The InChIKey is HEEOTHXESLZUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2O.C3H8.C2H6/c1-3-7(8(9)10)5-6-11-4-2;1-3-2;1-2/h3-6H2,1-2H3;3H2,1-2H3;1-2H3.
What are the key properties of 3-(difluoromethylidene)-1-ethoxypentane;ethane;propane?
3-(difluoromethylidene)-1-ethoxypentane;ethane;propane has a molecular weight of 238.36 g/mol, XLogP of 5.42, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethylidene)-1-ethoxypentane;ethane;propane is sourced from PubChem (CID 144519440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).