2-(4,4-difluoropent-2-enoxy)-2-methylpropan-1-ol

C9H16F2O2 — CID 91452014

IUPAC2-(4,4-difluoropent-2-enoxy)-2-methylpropan-1-ol
SMILESCC(F)(F)C=CCOC(C)(C)CO
InChIInChI=1S/C9H16F2O2/c1-8(2,7-12)13-6-4-5-9(3,10)11/h4-5,12H,6-7H2,1-3H3
InChIKeyFEBUYIMOEVXCBF-UHFFFAOYSA-N
MW194.22 g/mol
LogP1.99
Rot. Bonds5

About 2-(4,4-difluoropent-2-enoxy)-2-methylpropan-1-ol

2-(4,4-difluoropent-2-enoxy)-2-methylpropan-1-ol (PubChem CID 91452014) has the molecular formula C9H16F2O2 and a molecular weight of 194.22 g/mol. Its IUPAC name is 2-(4,4-difluoropent-2-enoxy)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(4,4-difluoropent-2-enoxy)-2-methylpropan-1-ol
PubChem CID91452014
Molecular FormulaC9H16F2O2
Molecular Weight194.22 g/mol
Exact Mass194.11
IUPAC Name2-(4,4-difluoropent-2-enoxy)-2-methylpropan-1-ol
SMILESCC(F)(F)C=CCOC(C)(C)CO
InChIInChI=1S/C9H16F2O2/c1-8(2,7-12)13-6-4-5-9(3,10)11/h4-5,12H,6-7H2,1-3H3
InChIKeyFEBUYIMOEVXCBF-UHFFFAOYSA-N
XLogP1.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-4,4-difluoro-1-(1-methoxy-2-methylpropan-2-yl)oxypent-2-ene
CID 88215262
4,4-Difluoro-1-(1-methoxy-2-methylpropan-2-yl)oxypent-2-ene
CID 90724087
(E)-4,4-difluoro-1-(1-methoxy-2-methylpropan-2-yl)oxyhex-2-ene;ethane
CID 144089114
2-[(E)-4,4-difluoropent-2-enoxy]-2-methylpropan-1-ol;ethane
CID 144089189
2-[(E)-4,4-difluoropent-2-enoxy]-2-methylpropan-1-ol
CID 144089190
1,1,1,3,3,3-hexafluoro-2-[[(2Z,4E)-6-methylhepta-2,4-dien-4-yl]oxymethyl]propan-2-ol
CID 167055856
1-[(E)-4-fluoropent-3-en-2-yl]oxy-2-methylpropan-2-ol
CID 167082443
(E)-2-methyl-2-(2,2,2-trifluoroethoxy)hex-3-en-3-ol
CID 170150966
2,2-Difluoro-5-[(2-methylpropan-2-yl)oxy]cyclopent-3-en-1-ol
CID 130152423
(1R,5S)-2,2-difluoro-5-[(2-methylpropan-2-yl)oxy]cyclopent-3-en-1-ol
CID 130891152
1,1-difluoro-2-methyl-3-[(2Z,4Z)-4-methylhepta-2,4-dienoxy]propan-2-ol
CID 143372447
(E)-4,4-difluoro-1-(1-methoxy-2-methylpropan-2-yl)oxyhex-2-ene
CID 144089115

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropent-2-enoxy)-2-methylpropan-1-ol?
The IUPAC name of 2-(4,4-difluoropent-2-enoxy)-2-methylpropan-1-ol (CID 91452014) is 2-(4,4-difluoropent-2-enoxy)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(4,4-difluoropent-2-enoxy)-2-methylpropan-1-ol?
The canonical SMILES for 2-(4,4-difluoropent-2-enoxy)-2-methylpropan-1-ol is CC(F)(F)C=CCOC(C)(C)CO.
What is the InChIKey of 2-(4,4-difluoropent-2-enoxy)-2-methylpropan-1-ol?
The InChIKey is FEBUYIMOEVXCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2O2/c1-8(2,7-12)13-6-4-5-9(3,10)11/h4-5,12H,6-7H2,1-3H3.
What are the key properties of 2-(4,4-difluoropent-2-enoxy)-2-methylpropan-1-ol?
2-(4,4-difluoropent-2-enoxy)-2-methylpropan-1-ol has a molecular weight of 194.22 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoropent-2-enoxy)-2-methylpropan-1-ol is sourced from PubChem (CID 91452014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).