(Z)-1-fluoro-2-(2-methoxyethoxymethoxy)-3-prop-2-enoxypent-1-ene

C12H21FO4 — CID 23242476

IUPAC(Z)-1-fluoro-2-(2-methoxyethoxymethoxy)-3-prop-2-enoxypent-1-ene
SMILESC=CCOC(CC)/C(=C/F)OCOCCOC
InChIInChI=1S/C12H21FO4/c1-4-6-16-11(5-2)12(9-13)17-10-15-8-7-14-3/h4,9,11H,1,5-8,10H2,2-3H3/b12-9-
InChIKeyIGPFGDABVUXYJD-XFXZXTDPSA-N
MW248.29 g/mol
LogP2.42
Rot. Bonds11

About (Z)-1-fluoro-2-(2-methoxyethoxymethoxy)-3-prop-2-enoxypent-1-ene

(Z)-1-fluoro-2-(2-methoxyethoxymethoxy)-3-prop-2-enoxypent-1-ene (PubChem CID 23242476) has the molecular formula C12H21FO4 and a molecular weight of 248.29 g/mol. Its IUPAC name is (Z)-1-fluoro-2-(2-methoxyethoxymethoxy)-3-prop-2-enoxypent-1-ene.

Molecular Properties

Compound Name(Z)-1-fluoro-2-(2-methoxyethoxymethoxy)-3-prop-2-enoxypent-1-ene
PubChem CID23242476
Molecular FormulaC12H21FO4
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name(Z)-1-fluoro-2-(2-methoxyethoxymethoxy)-3-prop-2-enoxypent-1-ene
SMILESC=CCOC(CC)/C(=C/F)OCOCCOC
InChIInChI=1S/C12H21FO4/c1-4-6-16-11(5-2)12(9-13)17-10-15-8-7-14-3/h4,9,11H,1,5-8,10H2,2-3H3/b12-9-
InChIKeyIGPFGDABVUXYJD-XFXZXTDPSA-N
XLogP2.42
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 52.42
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'}

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Related Compounds

triethyl-[(E)-1-fluoro-2-(2-methoxyethoxymethoxy)-3-prop-2-enoxypent-1-enyl]silane
CID 177442971
1,1-difluoro-2-(2-methoxyethoxymethoxy)-3-(2-methylprop-2-enoxy)pent-1-ene
CID 10540693
3-methoxy-2-prop-2-enoxypropanehydrazide
CID 103229178
lithium 1,1-difluoro-2-(2-methoxyethoxymethoxy)-3-prop-2-ynoxypent-1-ene
CID 10492242
ethyl (2R)-2-(2-methoxyethoxymethoxy)-5-oxohept-6-enoate
CID 90776916
2-(2-methoxyethoxymethoxy)pent-4-en-1-ol
CID 74389573
2-[2-(2-methoxyethoxy)ethoxy]butanoic acid
CID 18318696
(4S,5Z,7R)-7-(2-methoxyethoxymethoxymethyl)-5-methylnona-1,5-dien-4-ol
CID 118123382
2-(2-methoxyethoxy)butanamide
CID 62900293
2-(2-methoxyethoxy)butanehydrazide
CID 63575929
prop-2-enoxymethyl 5-methoxy-2-methylpent-2-enoate
CID 174057728
3-(2-methoxyethoxymethoxy)pent-1-yne
CID 12043596

Frequently Asked Questions

What is the IUPAC name of (Z)-1-fluoro-2-(2-methoxyethoxymethoxy)-3-prop-2-enoxypent-1-ene?
The IUPAC name of (Z)-1-fluoro-2-(2-methoxyethoxymethoxy)-3-prop-2-enoxypent-1-ene (CID 23242476) is (Z)-1-fluoro-2-(2-methoxyethoxymethoxy)-3-prop-2-enoxypent-1-ene.
What is the SMILES notation for (Z)-1-fluoro-2-(2-methoxyethoxymethoxy)-3-prop-2-enoxypent-1-ene?
The canonical SMILES for (Z)-1-fluoro-2-(2-methoxyethoxymethoxy)-3-prop-2-enoxypent-1-ene is C=CCOC(CC)/C(=C/F)OCOCCOC.
What is the InChIKey of (Z)-1-fluoro-2-(2-methoxyethoxymethoxy)-3-prop-2-enoxypent-1-ene?
The InChIKey is IGPFGDABVUXYJD-XFXZXTDPSA-N. The full InChI is InChI=1S/C12H21FO4/c1-4-6-16-11(5-2)12(9-13)17-10-15-8-7-14-3/h4,9,11H,1,5-8,10H2,2-3H3/b12-9-.
What are the key properties of (Z)-1-fluoro-2-(2-methoxyethoxymethoxy)-3-prop-2-enoxypent-1-ene?
(Z)-1-fluoro-2-(2-methoxyethoxymethoxy)-3-prop-2-enoxypent-1-ene has a molecular weight of 248.29 g/mol, XLogP of 2.42, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-fluoro-2-(2-methoxyethoxymethoxy)-3-prop-2-enoxypent-1-ene is sourced from PubChem (CID 23242476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).