5-ethoxy-4,4-difluoro-2-methylpent-1-ene

C8H14F2O — CID 163738849

IUPAC5-ethoxy-4,4-difluoro-2-methylpent-1-ene
SMILESC=C(C)CC(F)(F)COCC
InChIInChI=1S/C8H14F2O/c1-4-11-6-8(9,10)5-7(2)3/h2,4-6H2,1,3H3
InChIKeyLFZUDJKYOPYCHW-UHFFFAOYSA-N
MW164.19 g/mol
LogP2.62
Rot. Bonds5

About 5-ethoxy-4,4-difluoro-2-methylpent-1-ene

5-ethoxy-4,4-difluoro-2-methylpent-1-ene (PubChem CID 163738849) has the molecular formula C8H14F2O and a molecular weight of 164.19 g/mol. Its IUPAC name is 5-ethoxy-4,4-difluoro-2-methylpent-1-ene.

Molecular Properties

Compound Name5-ethoxy-4,4-difluoro-2-methylpent-1-ene
PubChem CID163738849
Molecular FormulaC8H14F2O
Molecular Weight164.19 g/mol
Exact Mass164.10
IUPAC Name5-ethoxy-4,4-difluoro-2-methylpent-1-ene
SMILESC=C(C)CC(F)(F)COCC
InChIInChI=1S/C8H14F2O/c1-4-11-6-8(9,10)5-7(2)3/h2,4-6H2,1,3H3
InChIKeyLFZUDJKYOPYCHW-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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
4-Methyl-5-(2,3,3,3-tetrafluoro-2-methylpropoxy)-2-(trifluoromethyl)pent-1-ene
CID 58936755
6-Ethoxy-1,1-difluorohex-1-ene
CID 91078191
1,1-Difluoro-6-propoxyhex-1-ene
CID 91318567
4-Ethoxy-2-(trifluoromethyl)but-1-ene
CID 118680511
5-(1,1-Difluoropropoxy)-4,4,5,5-tetrafluoro-2-methylpent-1-ene
CID 130460440
2-Methyl-4-(1,1,2,2-tetrafluoropropoxy)but-1-ene
CID 139758333
2-Methyl-4-(1,1,2-trifluoroethoxy)but-1-ene
CID 139758334
3,3,4,4,5,5,5-Heptafluoro-2-[(3,3,4,4,5,5,5-heptafluoro-2-methylidenepentoxy)methyl]pent-1-ene
CID 139816536
3,3,4,5,5,5-Hexafluoro-2-[(3,3,4,5,5,5-hexafluoro-2-methylidenepentoxy)methyl]pent-1-ene
CID 140003863
2-Ethoxy-4-(trifluoromethyl)penta-1,4-diene
CID 142428740
2-Ethoxy-3,3-difluorohex-1-ene
CID 143472823

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-4,4-difluoro-2-methylpent-1-ene?
The IUPAC name of 5-ethoxy-4,4-difluoro-2-methylpent-1-ene (CID 163738849) is 5-ethoxy-4,4-difluoro-2-methylpent-1-ene.
What is the SMILES notation for 5-ethoxy-4,4-difluoro-2-methylpent-1-ene?
The canonical SMILES for 5-ethoxy-4,4-difluoro-2-methylpent-1-ene is C=C(C)CC(F)(F)COCC.
What is the InChIKey of 5-ethoxy-4,4-difluoro-2-methylpent-1-ene?
The InChIKey is LFZUDJKYOPYCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2O/c1-4-11-6-8(9,10)5-7(2)3/h2,4-6H2,1,3H3.
What are the key properties of 5-ethoxy-4,4-difluoro-2-methylpent-1-ene?
5-ethoxy-4,4-difluoro-2-methylpent-1-ene has a molecular weight of 164.19 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-4,4-difluoro-2-methylpent-1-ene is sourced from PubChem (CID 163738849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).