3,3-dimethyloxetane;hydrofluoride

C5H11FO — CID 86038663

IUPAC3,3-dimethyloxetane;hydrofluoride
SMILESCC1(C)COC1.F
InChIInChI=1S/C5H10O.FH/c1-5(2)3-6-4-5;/h3-4H2,1-2H3;1H
InChIKeyNGYRKSCKUXEMRC-UHFFFAOYSA-N
MW106.14 g/mol
LogP1.20
Rot. Bonds

About 3,3-dimethyloxetane;hydrofluoride

3,3-dimethyloxetane;hydrofluoride (PubChem CID 86038663) has the molecular formula C5H11FO and a molecular weight of 106.14 g/mol. Its IUPAC name is 3,3-dimethyloxetane;hydrofluoride.

Molecular Properties

Compound Name3,3-dimethyloxetane;hydrofluoride
PubChem CID86038663
Molecular FormulaC5H11FO
Molecular Weight106.14 g/mol
Exact Mass106.08
IUPAC Name3,3-dimethyloxetane;hydrofluoride
SMILESCC1(C)COC1.F
InChIInChI=1S/C5H10O.FH/c1-5(2)3-6-4-5;/h3-4H2,1-2H3;1H
InChIKeyNGYRKSCKUXEMRC-UHFFFAOYSA-N
XLogP1.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.14
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-Dimethyloxetane
CID 23352
1-Methoxy-2,2-dimethylpropane
CID 136871
3,3-Bis(fluoromethyl)oxetane
CID 12603408
3-(Difluor-aminomethyl)-3-methyloxetane
CID 129735476
3-Methyloxetane
CID 529315
1-Fluoro-3-methoxy-2,2-dimethylpropane
CID 18714787
3-Fluoro-3-methyloxetane
CID 60055094
3-(Fluoromethyl)-3-methyloxetane
CID 89526427
2,2-Dimethylpropyl hypofluorite
CID 140411092
1-Fluoro-1-methoxy-2,2-dimethylpropane
CID 169036792
3,3-Bis(methoxymethyl)oxetane
CID 12721364
3,3-Dimethyloxetane hydrogen chloride
CID 129828985

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyloxetane;hydrofluoride?
The IUPAC name of 3,3-dimethyloxetane;hydrofluoride (CID 86038663) is 3,3-dimethyloxetane;hydrofluoride.
What is the SMILES notation for 3,3-dimethyloxetane;hydrofluoride?
The canonical SMILES for 3,3-dimethyloxetane;hydrofluoride is CC1(C)COC1.F.
What is the InChIKey of 3,3-dimethyloxetane;hydrofluoride?
The InChIKey is NGYRKSCKUXEMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O.FH/c1-5(2)3-6-4-5;/h3-4H2,1-2H3;1H.
What are the key properties of 3,3-dimethyloxetane;hydrofluoride?
3,3-dimethyloxetane;hydrofluoride has a molecular weight of 106.14 g/mol, XLogP of 1.20, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyloxetane;hydrofluoride is sourced from PubChem (CID 86038663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).