2,2-difluoro-4,4-bis(trifluoromethyl)oxetane

C5H2F8O — CID 10242929

IUPAC2,2-difluoro-4,4-bis(trifluoromethyl)oxetane
SMILESFC1(F)CC(C(F)(F)F)(C(F)(F)F)O1
InChIInChI=1S/C5H2F8O/c6-3(7)1-2(14-3,4(8,9)10)5(11,12)13/h1H2
InChIKeyAGHZWRFRPRKBKJ-UHFFFAOYSA-N
MW230.05 g/mol
LogP2.86
Rot. Bonds

About 2,2-difluoro-4,4-bis(trifluoromethyl)oxetane

2,2-difluoro-4,4-bis(trifluoromethyl)oxetane (PubChem CID 10242929) has the molecular formula C5H2F8O and a molecular weight of 230.05 g/mol. Its IUPAC name is 2,2-difluoro-4,4-bis(trifluoromethyl)oxetane.

Molecular Properties

Compound Name2,2-difluoro-4,4-bis(trifluoromethyl)oxetane
PubChem CID10242929
Molecular FormulaC5H2F8O
Molecular Weight230.05 g/mol
Exact Mass230.00
IUPAC Name2,2-difluoro-4,4-bis(trifluoromethyl)oxetane
SMILESFC1(F)CC(C(F)(F)F)(C(F)(F)F)O1
InChIInChI=1S/C5H2F8O/c6-3(7)1-2(14-3,4(8,9)10)5(11,12)13/h1H2
InChIKeyAGHZWRFRPRKBKJ-UHFFFAOYSA-N
XLogP2.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.05
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-4,4-bis(trifluoromethyl)oxetane?
The IUPAC name of 2,2-difluoro-4,4-bis(trifluoromethyl)oxetane (CID 10242929) is 2,2-difluoro-4,4-bis(trifluoromethyl)oxetane.
What is the SMILES notation for 2,2-difluoro-4,4-bis(trifluoromethyl)oxetane?
The canonical SMILES for 2,2-difluoro-4,4-bis(trifluoromethyl)oxetane is FC1(F)CC(C(F)(F)F)(C(F)(F)F)O1.
What is the InChIKey of 2,2-difluoro-4,4-bis(trifluoromethyl)oxetane?
The InChIKey is AGHZWRFRPRKBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F8O/c6-3(7)1-2(14-3,4(8,9)10)5(11,12)13/h1H2.
What are the key properties of 2,2-difluoro-4,4-bis(trifluoromethyl)oxetane?
2,2-difluoro-4,4-bis(trifluoromethyl)oxetane has a molecular weight of 230.05 g/mol, XLogP of 2.86, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-4,4-bis(trifluoromethyl)oxetane is sourced from PubChem (CID 10242929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).