1,1-difluoro-2-prop-2-enoxypenta-1,4-dien-3-ol

C8H10F2O2 — CID 134832234

IUPAC1,1-difluoro-2-prop-2-enoxypenta-1,4-dien-3-ol
SMILESC=CCOC(=C(F)F)C(O)C=C
InChIInChI=1S/C8H10F2O2/c1-3-5-12-7(8(9)10)6(11)4-2/h3-4,6,11H,1-2,5H2
InChIKeyCHHQSBIANHAFPZ-UHFFFAOYSA-N
MW176.16 g/mol
LogP1.84
Rot. Bonds5

About 1,1-difluoro-2-prop-2-enoxypenta-1,4-dien-3-ol

1,1-difluoro-2-prop-2-enoxypenta-1,4-dien-3-ol (PubChem CID 134832234) has the molecular formula C8H10F2O2 and a molecular weight of 176.16 g/mol. Its IUPAC name is 1,1-difluoro-2-prop-2-enoxypenta-1,4-dien-3-ol.

Molecular Properties

Compound Name1,1-difluoro-2-prop-2-enoxypenta-1,4-dien-3-ol
PubChem CID134832234
Molecular FormulaC8H10F2O2
Molecular Weight176.16 g/mol
Exact Mass176.06
IUPAC Name1,1-difluoro-2-prop-2-enoxypenta-1,4-dien-3-ol
SMILESC=CCOC(=C(F)F)C(O)C=C
InChIInChI=1S/C8H10F2O2/c1-3-5-12-7(8(9)10)6(11)4-2/h3-4,6,11H,1-2,5H2
InChIKeyCHHQSBIANHAFPZ-UHFFFAOYSA-N
XLogP1.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.16
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-Buten-2-ol, 1-(2-propenyloxy)-
CID 11715179
3,3-Difluoro-2-prop-2-enoxyprop-2-en-1-ol
CID 15215720
1,1,1-Trifluoro-3-prop-2-enoxypropan-2-ol
CID 22913249
(2R)-1-[(E)-4,4,4-trifluoro-3-methylbut-2-enoxy]but-3-en-2-ol
CID 88987836
2-[2-(1,1,1-Trifluoropenta-3,4-dien-2-yloxy)ethoxy]ethanol
CID 140216080
2-Propan-2-yloxy-2-(trifluoromethyl)but-3-en-1-ol
CID 171417855
2-(2,2,2-Trifluoroethoxy)but-3-en-1-ol
CID 71375310
1-(2,2,2-Trifluoroethoxy)but-3-en-2-ol
CID 103216918
1,1,1-Trifluoro-3-(2-prop-2-enoxyethoxy)propan-2-ol
CID 154092898
1-But-3-en-2-yloxybut-3-en-2-ol
CID 57027447
2-(3-Hydroxypenta-1,4-dien-2-yloxy)penta-1,4-dien-3-ol
CID 87197276
(2R)-1-prop-2-enoxybut-3-en-2-ol
CID 146627789

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2-prop-2-enoxypenta-1,4-dien-3-ol?
The IUPAC name of 1,1-difluoro-2-prop-2-enoxypenta-1,4-dien-3-ol (CID 134832234) is 1,1-difluoro-2-prop-2-enoxypenta-1,4-dien-3-ol.
What is the SMILES notation for 1,1-difluoro-2-prop-2-enoxypenta-1,4-dien-3-ol?
The canonical SMILES for 1,1-difluoro-2-prop-2-enoxypenta-1,4-dien-3-ol is C=CCOC(=C(F)F)C(O)C=C.
What is the InChIKey of 1,1-difluoro-2-prop-2-enoxypenta-1,4-dien-3-ol?
The InChIKey is CHHQSBIANHAFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2O2/c1-3-5-12-7(8(9)10)6(11)4-2/h3-4,6,11H,1-2,5H2.
What are the key properties of 1,1-difluoro-2-prop-2-enoxypenta-1,4-dien-3-ol?
1,1-difluoro-2-prop-2-enoxypenta-1,4-dien-3-ol has a molecular weight of 176.16 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2-prop-2-enoxypenta-1,4-dien-3-ol is sourced from PubChem (CID 134832234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).