ethane;3-fluoro-3-methyloxetane

C6H13FO — CID 144798635

IUPACethane;3-fluoro-3-methyloxetane
SMILESCC.CC1(F)COC1
InChIInChI=1S/C4H7FO.C2H6/c1-4(5)2-6-3-4;1-2/h2-3H2,1H3;1-2H3
InChIKeyJMSZAIIRIDLKTM-UHFFFAOYSA-N
MW120.17 g/mol
LogP1.77
Rot. Bonds

About ethane;3-fluoro-3-methyloxetane

ethane;3-fluoro-3-methyloxetane (PubChem CID 144798635) has the molecular formula C6H13FO and a molecular weight of 120.17 g/mol. Its IUPAC name is ethane;3-fluoro-3-methyloxetane.

Molecular Properties

Compound Nameethane;3-fluoro-3-methyloxetane
PubChem CID144798635
Molecular FormulaC6H13FO
Molecular Weight120.17 g/mol
Exact Mass120.10
IUPAC Nameethane;3-fluoro-3-methyloxetane
SMILESCC.CC1(F)COC1
InChIInChI=1S/C4H7FO.C2H6/c1-4(5)2-6-3-4;1-2/h2-3H2,1H3;1-2H3
InChIKeyJMSZAIIRIDLKTM-UHFFFAOYSA-N
XLogP1.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.17
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-Dimethyloxetane
CID 23352
3,3-Bis(fluoromethyl)oxetane
CID 12603408
3-(Difluor-aminomethyl)-3-methyloxetane
CID 129735476
3-Methyloxetane
CID 529315
2-Fluoro-1-methoxypropane
CID 12700780
3-Fluoropropyl methyl ether
CID 18335957
1-Fluoro-3-methoxy-2,2-dimethylpropane
CID 18714787
1-Fluoro-1-methoxypropane
CID 21831689
1-(Fluoromethoxy)propane
CID 22178544
2-Fluoro-3-methyloxetane
CID 54520016
3-(Fluoromethyl)oxetane
CID 57467562
2,2,3-Trifluoro-3-methyloxetane
CID 58421232

Frequently Asked Questions

What is the IUPAC name of ethane;3-fluoro-3-methyloxetane?
The IUPAC name of ethane;3-fluoro-3-methyloxetane (CID 144798635) is ethane;3-fluoro-3-methyloxetane.
What is the SMILES notation for ethane;3-fluoro-3-methyloxetane?
The canonical SMILES for ethane;3-fluoro-3-methyloxetane is CC.CC1(F)COC1.
What is the InChIKey of ethane;3-fluoro-3-methyloxetane?
The InChIKey is JMSZAIIRIDLKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FO.C2H6/c1-4(5)2-6-3-4;1-2/h2-3H2,1H3;1-2H3.
What are the key properties of ethane;3-fluoro-3-methyloxetane?
ethane;3-fluoro-3-methyloxetane has a molecular weight of 120.17 g/mol, XLogP of 1.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-fluoro-3-methyloxetane is sourced from PubChem (CID 144798635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).