1,1-difluoro-2-(2-methoxyethoxymethoxy)-3-(2-methylprop-2-enoxy)pent-1-ene

C13H22F2O4 — CID 10540693

IUPAC1,1-difluoro-2-(2-methoxyethoxymethoxy)-3-(2-methylprop-2-enoxy)pent-1-ene
SMILESC=C(C)COC(CC)C(OCOCCOC)=C(F)F
InChIInChI=1S/C13H22F2O4/c1-5-11(18-8-10(2)3)12(13(14)15)19-9-17-7-6-16-4/h11H,2,5-9H2,1,3-4H3
InChIKeyHHKCJOUZEVVQOM-UHFFFAOYSA-N
MW280.31 g/mol
LogP3.10
Rot. Bonds11

About 1,1-difluoro-2-(2-methoxyethoxymethoxy)-3-(2-methylprop-2-enoxy)pent-1-ene

1,1-difluoro-2-(2-methoxyethoxymethoxy)-3-(2-methylprop-2-enoxy)pent-1-ene (PubChem CID 10540693) has the molecular formula C13H22F2O4 and a molecular weight of 280.31 g/mol. Its IUPAC name is 1,1-difluoro-2-(2-methoxyethoxymethoxy)-3-(2-methylprop-2-enoxy)pent-1-ene.

Molecular Properties

Compound Name1,1-difluoro-2-(2-methoxyethoxymethoxy)-3-(2-methylprop-2-enoxy)pent-1-ene
PubChem CID10540693
Molecular FormulaC13H22F2O4
Molecular Weight280.31 g/mol
Exact Mass280.15
IUPAC Name1,1-difluoro-2-(2-methoxyethoxymethoxy)-3-(2-methylprop-2-enoxy)pent-1-ene
SMILESC=C(C)COC(CC)C(OCOCCOC)=C(F)F
InChIInChI=1S/C13H22F2O4/c1-5-11(18-8-10(2)3)12(13(14)15)19-9-17-7-6-16-4/h11H,2,5-9H2,1,3-4H3
InChIKeyHHKCJOUZEVVQOM-UHFFFAOYSA-N
XLogP3.10
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1,1-difluoro-2-(2-methoxyethoxymethoxy)-3-(2-methylprop-2-enoxy)pent-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

lithium 1,1-difluoro-2-(2-methoxyethoxymethoxy)-3-prop-2-ynoxypent-1-ene
CID 10492242
triethyl-[(E)-1-fluoro-2-(2-methoxyethoxymethoxy)-3-prop-2-enoxypent-1-enyl]silane
CID 177442971
(Z)-1-fluoro-2-(2-methoxyethoxymethoxy)-3-prop-2-enoxypent-1-ene
CID 23242476
4,4-difluoro-5-(2-methoxyethoxymethoxy)-2-methylhexa-1,5-dien-3-ol
CID 10562743
2-(2-methoxyethoxy)ethoxymethyl acetate
CID 87088322
2-[2-(2-methoxyethoxy)ethoxy]butanoic acid
CID 18318696
(5Z)-4,4-difluoro-5-(2-methoxyethoxymethoxy)-2-methylocta-1,5-dien-3-ol
CID 10779109
3-(2-methylprop-2-enoxy)pentane
CID 123638560
2-(2-methoxyethoxy)butanamide
CID 62900293
3-(2-methylprop-2-enoxy)hexan-2-one
CID 143554575
[2-bromo-1-[1,1-difluoro-2-(2-methoxyethoxymethoxy)-4-methylpent-1-en-3-yl]oxy-2,2-difluoroethoxy]-trimethylsilane
CID 10624228
2-(3-methoxypropoxy)butanamide
CID 62899538

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2-(2-methoxyethoxymethoxy)-3-(2-methylprop-2-enoxy)pent-1-ene?
The IUPAC name of 1,1-difluoro-2-(2-methoxyethoxymethoxy)-3-(2-methylprop-2-enoxy)pent-1-ene (CID 10540693) is 1,1-difluoro-2-(2-methoxyethoxymethoxy)-3-(2-methylprop-2-enoxy)pent-1-ene.
What is the SMILES notation for 1,1-difluoro-2-(2-methoxyethoxymethoxy)-3-(2-methylprop-2-enoxy)pent-1-ene?
The canonical SMILES for 1,1-difluoro-2-(2-methoxyethoxymethoxy)-3-(2-methylprop-2-enoxy)pent-1-ene is C=C(C)COC(CC)C(OCOCCOC)=C(F)F.
What is the InChIKey of 1,1-difluoro-2-(2-methoxyethoxymethoxy)-3-(2-methylprop-2-enoxy)pent-1-ene?
The InChIKey is HHKCJOUZEVVQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2O4/c1-5-11(18-8-10(2)3)12(13(14)15)19-9-17-7-6-16-4/h11H,2,5-9H2,1,3-4H3.
What are the key properties of 1,1-difluoro-2-(2-methoxyethoxymethoxy)-3-(2-methylprop-2-enoxy)pent-1-ene?
1,1-difluoro-2-(2-methoxyethoxymethoxy)-3-(2-methylprop-2-enoxy)pent-1-ene has a molecular weight of 280.31 g/mol, XLogP of 3.10, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2-(2-methoxyethoxymethoxy)-3-(2-methylprop-2-enoxy)pent-1-ene is sourced from PubChem (CID 10540693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).