1-(3,3-difluorooxetan-2-yl)pent-3-en-2-ol

C8H12F2O2 — CID 151928412

IUPAC1-(3,3-difluorooxetan-2-yl)pent-3-en-2-ol
SMILESCC=CC(O)CC1OCC1(F)F
InChIInChI=1S/C8H12F2O2/c1-2-3-6(11)4-7-8(9,10)5-12-7/h2-3,6-7,11H,4-5H2,1H3
InChIKeySYGPHYAUPJUERG-UHFFFAOYSA-N
MW178.18 g/mol
LogP1.35
Rot. Bonds3

About 1-(3,3-difluorooxetan-2-yl)pent-3-en-2-ol

1-(3,3-difluorooxetan-2-yl)pent-3-en-2-ol (PubChem CID 151928412) has the molecular formula C8H12F2O2 and a molecular weight of 178.18 g/mol. Its IUPAC name is 1-(3,3-difluorooxetan-2-yl)pent-3-en-2-ol.

Molecular Properties

Compound Name1-(3,3-difluorooxetan-2-yl)pent-3-en-2-ol
PubChem CID151928412
Molecular FormulaC8H12F2O2
Molecular Weight178.18 g/mol
Exact Mass178.08
IUPAC Name1-(3,3-difluorooxetan-2-yl)pent-3-en-2-ol
SMILESCC=CC(O)CC1OCC1(F)F
InChIInChI=1S/C8H12F2O2/c1-2-3-6(11)4-7-8(9,10)5-12-7/h2-3,6-7,11H,4-5H2,1H3
InChIKeySYGPHYAUPJUERG-UHFFFAOYSA-N
XLogP1.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.18
LogP ≤ 51.35
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)-hex-4-en-3-ol
CID 5366234
pent-3-ene-1,2-diol;hydrochloride
CID 141276135
(3S,5S)-oct-6-ene-3,5-diol
CID 91195913
3,3-dimethyl-2-(2-methylpropyl)oxetane
CID 171398553
(3R)-3-hydroxyhex-4-enoic acid
CID 54147030
1-(2,2-difluorocyclobutyl)ethanol
CID 131518456
2-(1-chlorobut-2-enyl)-5,5-dimethyl-1,3-dioxane
CID 172694094
(E)-3-hydroxyhex-4-enamide
CID 11083908
(E)-2-methylhept-5-ene-1,4-diol
CID 10606868
(E)-non-7-ene-2,6-diol
CID 87908692
(E,4R)-8-(oxan-2-yloxy)non-2-en-4-ol
CID 25147334
(Z,1R)-1-cyclopropylbut-2-en-1-ol
CID 135079327

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorooxetan-2-yl)pent-3-en-2-ol?
The IUPAC name of 1-(3,3-difluorooxetan-2-yl)pent-3-en-2-ol (CID 151928412) is 1-(3,3-difluorooxetan-2-yl)pent-3-en-2-ol.
What is the SMILES notation for 1-(3,3-difluorooxetan-2-yl)pent-3-en-2-ol?
The canonical SMILES for 1-(3,3-difluorooxetan-2-yl)pent-3-en-2-ol is CC=CC(O)CC1OCC1(F)F.
What is the InChIKey of 1-(3,3-difluorooxetan-2-yl)pent-3-en-2-ol?
The InChIKey is SYGPHYAUPJUERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2O2/c1-2-3-6(11)4-7-8(9,10)5-12-7/h2-3,6-7,11H,4-5H2,1H3.
What are the key properties of 1-(3,3-difluorooxetan-2-yl)pent-3-en-2-ol?
1-(3,3-difluorooxetan-2-yl)pent-3-en-2-ol has a molecular weight of 178.18 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorooxetan-2-yl)pent-3-en-2-ol is sourced from PubChem (CID 151928412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).