1,1-difluoro-2-methyl-3-[(2Z,4Z)-4-methylhepta-2,4-dienoxy]propan-2-ol

C12H20F2O2 — CID 143372447

IUPAC1,1-difluoro-2-methyl-3-[(2Z,4Z)-4-methylhepta-2,4-dienoxy]propan-2-ol
SMILESCC/C=C(C)\C=C/COCC(C)(O)C(F)F
InChIInChI=1S/C12H20F2O2/c1-4-6-10(2)7-5-8-16-9-12(3,15)11(13)14/h5-7,11,15H,4,8-9H2,1-3H3/b7-5-,10-6-
InChIKeyFNZBLDFEUCOOJT-FWXHXWNTSA-N
MW234.29 g/mol
LogP2.93
Rot. Bonds7

About 1,1-difluoro-2-methyl-3-[(2Z,4Z)-4-methylhepta-2,4-dienoxy]propan-2-ol

1,1-difluoro-2-methyl-3-[(2Z,4Z)-4-methylhepta-2,4-dienoxy]propan-2-ol (PubChem CID 143372447) has the molecular formula C12H20F2O2 and a molecular weight of 234.29 g/mol. Its IUPAC name is 1,1-difluoro-2-methyl-3-[(2Z,4Z)-4-methylhepta-2,4-dienoxy]propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-2-methyl-3-[(2Z,4Z)-4-methylhepta-2,4-dienoxy]propan-2-ol
PubChem CID143372447
Molecular FormulaC12H20F2O2
Molecular Weight234.29 g/mol
Exact Mass234.14
IUPAC Name1,1-difluoro-2-methyl-3-[(2Z,4Z)-4-methylhepta-2,4-dienoxy]propan-2-ol
SMILESCC/C=C(C)\C=C/COCC(C)(O)C(F)F
InChIInChI=1S/C12H20F2O2/c1-4-6-10(2)7-5-8-16-9-12(3,15)11(13)14/h5-7,11,15H,4,8-9H2,1-3H3/b7-5-,10-6-
InChIKeyFNZBLDFEUCOOJT-FWXHXWNTSA-N
XLogP2.93
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', '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
2-(4,4-Difluoropent-2-enoxy)-2-methylpropan-1-ol
CID 91452014
2-[[(3E,5E)-3-ethenyl-2-methylocta-3,5,7-trien-2-yl]oxymethyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 129145664
1-[(4E,8Z,12Z)-4,12,13-trifluoro-3,6,7,10,11-pentamethylidene-14-prop-2-enoxypentadeca-4,8,12,14-tetraen-2-yl]oxypropan-2-ol
CID 143772566
2-[(2E,4E)-3,5-bis(trifluoromethyl)hepta-2,4-dienoxy]ethanol
CID 143862894
(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
2-[(3Z,5E)-6-fluoro-5-methylhepta-3,5-dien-2-yl]oxyethanol
CID 144298541
(3E)-3-[2-(1,1-difluoroethoxy)ethoxy]-2,4-dimethylhexa-1,3,5-triene;ethane
CID 144307327
(2E,4E)-4-methyl-1-(trifluoromethoxy)hepta-2,4-dien-2-ol
CID 163534070

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2-methyl-3-[(2Z,4Z)-4-methylhepta-2,4-dienoxy]propan-2-ol?
The IUPAC name of 1,1-difluoro-2-methyl-3-[(2Z,4Z)-4-methylhepta-2,4-dienoxy]propan-2-ol (CID 143372447) is 1,1-difluoro-2-methyl-3-[(2Z,4Z)-4-methylhepta-2,4-dienoxy]propan-2-ol.
What is the SMILES notation for 1,1-difluoro-2-methyl-3-[(2Z,4Z)-4-methylhepta-2,4-dienoxy]propan-2-ol?
The canonical SMILES for 1,1-difluoro-2-methyl-3-[(2Z,4Z)-4-methylhepta-2,4-dienoxy]propan-2-ol is CC/C=C(C)\C=C/COCC(C)(O)C(F)F.
What is the InChIKey of 1,1-difluoro-2-methyl-3-[(2Z,4Z)-4-methylhepta-2,4-dienoxy]propan-2-ol?
The InChIKey is FNZBLDFEUCOOJT-FWXHXWNTSA-N. The full InChI is InChI=1S/C12H20F2O2/c1-4-6-10(2)7-5-8-16-9-12(3,15)11(13)14/h5-7,11,15H,4,8-9H2,1-3H3/b7-5-,10-6-.
What are the key properties of 1,1-difluoro-2-methyl-3-[(2Z,4Z)-4-methylhepta-2,4-dienoxy]propan-2-ol?
1,1-difluoro-2-methyl-3-[(2Z,4Z)-4-methylhepta-2,4-dienoxy]propan-2-ol has a molecular weight of 234.29 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2-methyl-3-[(2Z,4Z)-4-methylhepta-2,4-dienoxy]propan-2-ol is sourced from PubChem (CID 143372447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).