3,3-bis(fluoromethyl)oxetane

C5H8F2O — CID 12603408

IUPAC3,3-bis(fluoromethyl)oxetane
SMILESFCC1(CF)COC1
InChIInChI=1S/C5H8F2O/c6-1-5(2-7)3-8-4-5/h1-4H2
InChIKeyMSXYVRFANVULOQ-UHFFFAOYSA-N
MW122.11 g/mol
LogP0.94
Rot. Bonds2

About 3,3-bis(fluoromethyl)oxetane

3,3-bis(fluoromethyl)oxetane (PubChem CID 12603408) has the molecular formula C5H8F2O and a molecular weight of 122.11 g/mol. Its IUPAC name is 3,3-bis(fluoromethyl)oxetane.

Molecular Properties

Compound Name3,3-bis(fluoromethyl)oxetane
PubChem CID12603408
Molecular FormulaC5H8F2O
Molecular Weight122.11 g/mol
Exact Mass122.05
IUPAC Name3,3-bis(fluoromethyl)oxetane
SMILESFCC1(CF)COC1
InChIInChI=1S/C5H8F2O/c6-1-5(2-7)3-8-4-5/h1-4H2
InChIKeyMSXYVRFANVULOQ-UHFFFAOYSA-N
XLogP0.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.11
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(Difluor-aminomethyl)-3-methyloxetane
CID 129735476
3,3-Bis(trifluoromethyl)oxetane
CID 56991310
2,2-Difluoro-3-(fluoromethyl)-3-methyloxetane
CID 59426560
3-Methyl-3-(trifluoromethyl)oxetane
CID 60055097
3-(Fluoromethyl)-3-methyloxetane
CID 89526427
2,3-Difluoro-3-methyloxetane
CID 129023582
3,3-Dimethyloxetane hydrogen fluoride
CID 86038663
Ethane;3-fluoro-3-methyloxetane
CID 144798635
3,3-Dimethanidyloxetane
CID 145757145
3-(Difluoromethyl)-3-methyloxetane;ethane
CID 178637430

Frequently Asked Questions

What is the IUPAC name of 3,3-bis(fluoromethyl)oxetane?
The IUPAC name of 3,3-bis(fluoromethyl)oxetane (CID 12603408) is 3,3-bis(fluoromethyl)oxetane.
What is the SMILES notation for 3,3-bis(fluoromethyl)oxetane?
The canonical SMILES for 3,3-bis(fluoromethyl)oxetane is FCC1(CF)COC1.
What is the InChIKey of 3,3-bis(fluoromethyl)oxetane?
The InChIKey is MSXYVRFANVULOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2O/c6-1-5(2-7)3-8-4-5/h1-4H2.
What are the key properties of 3,3-bis(fluoromethyl)oxetane?
3,3-bis(fluoromethyl)oxetane has a molecular weight of 122.11 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(fluoromethyl)oxetane is sourced from PubChem (CID 12603408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).