lithium 1,1-difluoro-2-(2-methoxyethoxymethoxy)-3-prop-2-ynoxypent-1-ene

C12H17F2LiO4 — CID 10492242

IUPAClithium 1,1-difluoro-2-(2-methoxyethoxymethoxy)-3-prop-2-ynoxypent-1-ene
SMILES[C-]#CCOC(CC)C(OCOCCOC)=C(F)F.[Li+]
InChIInChI=1S/C12H17F2O4.Li/c1-4-6-17-10(5-2)11(12(13)14)18-9-16-8-7-15-3;/h10H,5-9H2,2-3H3;/q-1;+1
InChIKeyIUVZDPRXRDPZMV-UHFFFAOYSA-N
MW270.20 g/mol
LogP-0.88
Rot. Bonds10

About lithium 1,1-difluoro-2-(2-methoxyethoxymethoxy)-3-prop-2-ynoxypent-1-ene

lithium 1,1-difluoro-2-(2-methoxyethoxymethoxy)-3-prop-2-ynoxypent-1-ene (PubChem CID 10492242) has the molecular formula C12H17F2LiO4 and a molecular weight of 270.20 g/mol. Its IUPAC name is lithium 1,1-difluoro-2-(2-methoxyethoxymethoxy)-3-prop-2-ynoxypent-1-ene.

Molecular Properties

Compound Namelithium 1,1-difluoro-2-(2-methoxyethoxymethoxy)-3-prop-2-ynoxypent-1-ene
PubChem CID10492242
Molecular FormulaC12H17F2LiO4
Molecular Weight270.20 g/mol
Exact Mass270.13
IUPAC Namelithium 1,1-difluoro-2-(2-methoxyethoxymethoxy)-3-prop-2-ynoxypent-1-ene
SMILES[C-]#CCOC(CC)C(OCOCCOC)=C(F)F.[Li+]
InChIInChI=1S/C12H17F2O4.Li/c1-4-6-17-10(5-2)11(12(13)14)18-9-16-8-7-15-3;/h10H,5-9H2,2-3H3;/q-1;+1
InChIKeyIUVZDPRXRDPZMV-UHFFFAOYSA-N
XLogP-0.88
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.20
LogP ≤ 5-0.88
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': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1,1-difluoro-2-(2-methoxyethoxymethoxy)-3-(2-methylprop-2-enoxy)pent-1-ene
CID 10540693
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
3-(2-methoxyethoxymethoxy)pent-1-yne
CID 12043596
2-[2-(2-methoxyethoxy)ethoxy]butanoic acid
CID 18318696
2-(2-methoxyethoxy)butanamide
CID 62900293
[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
2-(2-methoxyethoxy)ethoxymethyl acetate
CID 87088322
1-(2-methoxyethoxy)butan-2-ol
CID 20514540
2-(2-methoxyethoxy)-2-[2-(2-methoxyethoxy)ethoxy]ethanol
CID 57080200
ethyl 2-(3-methoxypropoxy)butanoate
CID 64661459

Frequently Asked Questions

What is the IUPAC name of lithium 1,1-difluoro-2-(2-methoxyethoxymethoxy)-3-prop-2-ynoxypent-1-ene?
The IUPAC name of lithium 1,1-difluoro-2-(2-methoxyethoxymethoxy)-3-prop-2-ynoxypent-1-ene (CID 10492242) is lithium 1,1-difluoro-2-(2-methoxyethoxymethoxy)-3-prop-2-ynoxypent-1-ene.
What is the SMILES notation for lithium 1,1-difluoro-2-(2-methoxyethoxymethoxy)-3-prop-2-ynoxypent-1-ene?
The canonical SMILES for lithium 1,1-difluoro-2-(2-methoxyethoxymethoxy)-3-prop-2-ynoxypent-1-ene is [C-]#CCOC(CC)C(OCOCCOC)=C(F)F.[Li+].
What is the InChIKey of lithium 1,1-difluoro-2-(2-methoxyethoxymethoxy)-3-prop-2-ynoxypent-1-ene?
The InChIKey is IUVZDPRXRDPZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2O4.Li/c1-4-6-17-10(5-2)11(12(13)14)18-9-16-8-7-15-3;/h10H,5-9H2,2-3H3;/q-1;+1.
What are the key properties of lithium 1,1-difluoro-2-(2-methoxyethoxymethoxy)-3-prop-2-ynoxypent-1-ene?
lithium 1,1-difluoro-2-(2-methoxyethoxymethoxy)-3-prop-2-ynoxypent-1-ene has a molecular weight of 270.20 g/mol, XLogP of -0.88, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1,1-difluoro-2-(2-methoxyethoxymethoxy)-3-prop-2-ynoxypent-1-ene is sourced from PubChem (CID 10492242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).