3-(difluoromethylidene)-1-ethoxypentane

C8H14F2O — CID 144519441

IUPAC3-(difluoromethylidene)-1-ethoxypentane
SMILESCCOCCC(CC)=C(F)F
InChIInChI=1S/C8H14F2O/c1-3-7(8(9)10)5-6-11-4-2/h3-6H2,1-2H3
InChIKeyBXCBVAFOWZENED-UHFFFAOYSA-N
MW164.19 g/mol
LogP2.97
Rot. Bonds5

About 3-(difluoromethylidene)-1-ethoxypentane

3-(difluoromethylidene)-1-ethoxypentane (PubChem CID 144519441) has the molecular formula C8H14F2O and a molecular weight of 164.19 g/mol. Its IUPAC name is 3-(difluoromethylidene)-1-ethoxypentane.

Molecular Properties

Compound Name3-(difluoromethylidene)-1-ethoxypentane
PubChem CID144519441
Molecular FormulaC8H14F2O
Molecular Weight164.19 g/mol
Exact Mass164.10
IUPAC Name3-(difluoromethylidene)-1-ethoxypentane
SMILESCCOCCC(CC)=C(F)F
InChIInChI=1S/C8H14F2O/c1-3-7(8(9)10)5-6-11-4-2/h3-6H2,1-2H3
InChIKeyBXCBVAFOWZENED-UHFFFAOYSA-N
XLogP2.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.19
LogP ≤ 52.97
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

3,3,4,4-Tetrafluoro-2-(trifluoromethyl)-5-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propoxy]pent-1-ene
CID 20802292
1,1-Difluoro-4-methoxy-2-methylbut-1-ene
CID 117734347
4-Ethoxy-1,1-difluoro-2-methylbut-1-ene
CID 117734357
2-Methyl-4-(1,1,2,2-tetrafluoropropoxy)but-1-ene
CID 139758333
4-(Difluoromethylidene)oxane
CID 140046485
3-(Difluoromethylidene)-1-methoxy-4-methylpentane
CID 144519449
Methane;3,3,4,4-tetrafluoro-2-(trifluoromethyl)-5-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propoxy]pent-1-ene
CID 158643437
5-Ethoxy-4,4-difluoro-2-methylpent-1-ene
CID 163738849
4-Butoxy-1,1,2-trifluorobut-1-ene
CID 2736439
3-(Difluoromethylidene)-1-ethoxy-4,4-dimethylpentane
CID 144519436
3-(Difluoromethylidene)-1-ethoxy-4,4-dimethylpentane;ethane
CID 144519435
3-(Difluoromethylidene)-1-ethoxypentane;ethane;propane
CID 144519440

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethylidene)-1-ethoxypentane?
The IUPAC name of 3-(difluoromethylidene)-1-ethoxypentane (CID 144519441) is 3-(difluoromethylidene)-1-ethoxypentane.
What is the SMILES notation for 3-(difluoromethylidene)-1-ethoxypentane?
The canonical SMILES for 3-(difluoromethylidene)-1-ethoxypentane is CCOCCC(CC)=C(F)F.
What is the InChIKey of 3-(difluoromethylidene)-1-ethoxypentane?
The InChIKey is BXCBVAFOWZENED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2O/c1-3-7(8(9)10)5-6-11-4-2/h3-6H2,1-2H3.
What are the key properties of 3-(difluoromethylidene)-1-ethoxypentane?
3-(difluoromethylidene)-1-ethoxypentane has a molecular weight of 164.19 g/mol, XLogP of 2.97, 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 is sourced from PubChem (CID 144519441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).