4,4-difluoro-1-(1-methoxy-2-methylpropan-2-yl)oxypent-2-ene

C10H18F2O2 — CID 90724087

IUPAC4,4-difluoro-1-(1-methoxy-2-methylpropan-2-yl)oxypent-2-ene
SMILESCOCC(C)(C)OCC=CC(C)(F)F
InChIInChI=1S/C10H18F2O2/c1-9(2,8-13-4)14-7-5-6-10(3,11)12/h5-6H,7-8H2,1-4H3
InChIKeyFOMUJIJJZCAGPP-UHFFFAOYSA-N
MW208.25 g/mol
LogP2.64
Rot. Bonds6

About 4,4-difluoro-1-(1-methoxy-2-methylpropan-2-yl)oxypent-2-ene

4,4-difluoro-1-(1-methoxy-2-methylpropan-2-yl)oxypent-2-ene (PubChem CID 90724087) has the molecular formula C10H18F2O2 and a molecular weight of 208.25 g/mol. Its IUPAC name is 4,4-difluoro-1-(1-methoxy-2-methylpropan-2-yl)oxypent-2-ene.

Molecular Properties

Compound Name4,4-difluoro-1-(1-methoxy-2-methylpropan-2-yl)oxypent-2-ene
PubChem CID90724087
Molecular FormulaC10H18F2O2
Molecular Weight208.25 g/mol
Exact Mass208.13
IUPAC Name4,4-difluoro-1-(1-methoxy-2-methylpropan-2-yl)oxypent-2-ene
SMILESCOCC(C)(C)OCC=CC(C)(F)F
InChIInChI=1S/C10H18F2O2/c1-9(2,8-13-4)14-7-5-6-10(3,11)12/h5-6H,7-8H2,1-4H3
InChIKeyFOMUJIJJZCAGPP-UHFFFAOYSA-N
XLogP2.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(Z)-1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy-4-methylpent-2-ene
CID 57917023
1-[(E)-4,4-difluorohex-2-enoxy]-2-ethoxycyclopropane
CID 70794078
(E)-4,4-difluoro-1-(1-methoxy-2-methylpropan-2-yl)oxypent-2-ene
CID 88215262
(E)-4,4-difluoro-5-methyl-1-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyhex-2-ene
CID 88972547
(E)-1-(3-ethoxybutan-2-yloxy)-4,4-difluorohex-2-ene
CID 88975413
(E)-1-(3-ethoxybutan-2-yloxy)-4,4-difluoro-5-methylhex-2-ene
CID 88975435
1-(4,4-Difluoropent-2-enoxy)-2-methoxycyclobutane
CID 91262270
2-(4,4-Difluoropent-2-enoxy)-2-methylpropan-1-ol
CID 91452014
1-(4,4-Difluoropent-2-enoxy)-2-methoxycyclopropane
CID 91492846
4,4-Difluoro-5-methyl-1-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyhex-2-ene
CID 123653440
1,1,1-Trifluoro-4-(2-methoxyethoxy)pent-2-ene
CID 130243314
(2E,4Z)-6-methyl-6-propan-2-yloxy-3-(1,2,2-trifluoroethenoxy)hepta-2,4-diene
CID 138517351

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-(1-methoxy-2-methylpropan-2-yl)oxypent-2-ene?
The IUPAC name of 4,4-difluoro-1-(1-methoxy-2-methylpropan-2-yl)oxypent-2-ene (CID 90724087) is 4,4-difluoro-1-(1-methoxy-2-methylpropan-2-yl)oxypent-2-ene.
What is the SMILES notation for 4,4-difluoro-1-(1-methoxy-2-methylpropan-2-yl)oxypent-2-ene?
The canonical SMILES for 4,4-difluoro-1-(1-methoxy-2-methylpropan-2-yl)oxypent-2-ene is COCC(C)(C)OCC=CC(C)(F)F.
What is the InChIKey of 4,4-difluoro-1-(1-methoxy-2-methylpropan-2-yl)oxypent-2-ene?
The InChIKey is FOMUJIJJZCAGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2O2/c1-9(2,8-13-4)14-7-5-6-10(3,11)12/h5-6H,7-8H2,1-4H3.
What are the key properties of 4,4-difluoro-1-(1-methoxy-2-methylpropan-2-yl)oxypent-2-ene?
4,4-difluoro-1-(1-methoxy-2-methylpropan-2-yl)oxypent-2-ene has a molecular weight of 208.25 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-(1-methoxy-2-methylpropan-2-yl)oxypent-2-ene is sourced from PubChem (CID 90724087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).