1-(2,2-difluorooxetan-3-yl)-4-methylpent-3-en-2-ol

C9H14F2O2 — CID 150241451

IUPAC1-(2,2-difluorooxetan-3-yl)-4-methylpent-3-en-2-ol
SMILESCC(C)=CC(O)CC1COC1(F)F
InChIInChI=1S/C9H14F2O2/c1-6(2)3-8(12)4-7-5-13-9(7,10)11/h3,7-8,12H,4-5H2,1-2H3
InChIKeyFXPRZRWKALQZDV-UHFFFAOYSA-N
MW192.20 g/mol
LogP1.94
Rot. Bonds3

About 1-(2,2-difluorooxetan-3-yl)-4-methylpent-3-en-2-ol

1-(2,2-difluorooxetan-3-yl)-4-methylpent-3-en-2-ol (PubChem CID 150241451) has the molecular formula C9H14F2O2 and a molecular weight of 192.20 g/mol. Its IUPAC name is 1-(2,2-difluorooxetan-3-yl)-4-methylpent-3-en-2-ol.

Molecular Properties

Compound Name1-(2,2-difluorooxetan-3-yl)-4-methylpent-3-en-2-ol
PubChem CID150241451
Molecular FormulaC9H14F2O2
Molecular Weight192.20 g/mol
Exact Mass192.10
IUPAC Name1-(2,2-difluorooxetan-3-yl)-4-methylpent-3-en-2-ol
SMILESCC(C)=CC(O)CC1COC1(F)F
InChIInChI=1S/C9H14F2O2/c1-6(2)3-8(12)4-7-5-13-9(7,10)11/h3,7-8,12H,4-5H2,1-2H3
InChIKeyFXPRZRWKALQZDV-UHFFFAOYSA-N
XLogP1.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.20
LogP ≤ 51.94
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

4-methyl-1-[4-(trifluoromethyl)oxetan-2-yl]pent-3-en-2-ol
CID 151809090
4-methyl-1-(1-methylcyclopropyl)pent-3-en-2-ol
CID 130941634
(2,2-difluorooxetan-3-yl)methyl prop-2-enoate
CID 122420839
7,7,7-trifluoro-2-methylhept-2-en-4-ol
CID 115817040
3-(2,2-difluorocyclopropyl)-2-hydroxypropanal
CID 170900342
2,6-dimethylocta-2,6-dien-4-ol
CID 57084943
2-(2-chloro-4-methylpent-3-enyl)oxirane
CID 174816443
5-(2-hydroxy-4-methylpent-3-enyl)-5-methyloxolan-2-one
CID 77139226
2,6-dimethylocta-2,7-dien-4-ol
CID 15596211
(1E)-6-methyl-1-phosphanylhepta-1,5-dien-4-ol
CID 100981311
3-fluoro-3-(2-methylprop-1-enyl)cyclobutan-1-amine
CID 112563988
8-methylnon-7-ene-2,6-diol
CID 141202208

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluorooxetan-3-yl)-4-methylpent-3-en-2-ol?
The IUPAC name of 1-(2,2-difluorooxetan-3-yl)-4-methylpent-3-en-2-ol (CID 150241451) is 1-(2,2-difluorooxetan-3-yl)-4-methylpent-3-en-2-ol.
What is the SMILES notation for 1-(2,2-difluorooxetan-3-yl)-4-methylpent-3-en-2-ol?
The canonical SMILES for 1-(2,2-difluorooxetan-3-yl)-4-methylpent-3-en-2-ol is CC(C)=CC(O)CC1COC1(F)F.
What is the InChIKey of 1-(2,2-difluorooxetan-3-yl)-4-methylpent-3-en-2-ol?
The InChIKey is FXPRZRWKALQZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2O2/c1-6(2)3-8(12)4-7-5-13-9(7,10)11/h3,7-8,12H,4-5H2,1-2H3.
What are the key properties of 1-(2,2-difluorooxetan-3-yl)-4-methylpent-3-en-2-ol?
1-(2,2-difluorooxetan-3-yl)-4-methylpent-3-en-2-ol has a molecular weight of 192.20 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluorooxetan-3-yl)-4-methylpent-3-en-2-ol is sourced from PubChem (CID 150241451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).