2,3-bis(fluoromethyl)oxetane

C5H8F2O — CID 139816847

IUPAC2,3-bis(fluoromethyl)oxetane
SMILESFCC1COC1CF
InChIInChI=1S/C5H8F2O/c6-1-4-3-8-5(4)2-7/h4-5H,1-3H2
InChIKeyNTXXNRKDPZQDIX-UHFFFAOYSA-N
MW122.11 g/mol
LogP0.94
Rot. Bonds2

About 2,3-bis(fluoromethyl)oxetane

2,3-bis(fluoromethyl)oxetane (PubChem CID 139816847) has the molecular formula C5H8F2O and a molecular weight of 122.11 g/mol. Its IUPAC name is 2,3-bis(fluoromethyl)oxetane.

Molecular Properties

Compound Name2,3-bis(fluoromethyl)oxetane
PubChem CID139816847
Molecular FormulaC5H8F2O
Molecular Weight122.11 g/mol
Exact Mass122.05
IUPAC Name2,3-bis(fluoromethyl)oxetane
SMILESFCC1COC1CF
InChIInChI=1S/C5H8F2O/c6-1-4-3-8-5(4)2-7/h4-5H,1-3H2
InChIKeyNTXXNRKDPZQDIX-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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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(fluoromethyl)oxetane?
The IUPAC name of 2,3-bis(fluoromethyl)oxetane (CID 139816847) is 2,3-bis(fluoromethyl)oxetane.
What is the SMILES notation for 2,3-bis(fluoromethyl)oxetane?
The canonical SMILES for 2,3-bis(fluoromethyl)oxetane is FCC1COC1CF.
What is the InChIKey of 2,3-bis(fluoromethyl)oxetane?
The InChIKey is NTXXNRKDPZQDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2O/c6-1-4-3-8-5(4)2-7/h4-5H,1-3H2.
What are the key properties of 2,3-bis(fluoromethyl)oxetane?
2,3-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 2,3-bis(fluoromethyl)oxetane is sourced from PubChem (CID 139816847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).