3-fluoro-3-(trifluoromethyl)oxane

C6H8F4O — CID 163857250

IUPAC3-fluoro-3-(trifluoromethyl)oxane
SMILESFC(F)(F)C1(F)CCCOC1
InChIInChI=1S/C6H8F4O/c7-5(6(8,9)10)2-1-3-11-4-5/h1-4H2
InChIKeyOZIYTUVIWJWCSU-UHFFFAOYSA-N
MW172.12 g/mol
LogP2.07
Rot. Bonds

About 3-fluoro-3-(trifluoromethyl)oxane

3-fluoro-3-(trifluoromethyl)oxane (PubChem CID 163857250) has the molecular formula C6H8F4O and a molecular weight of 172.12 g/mol. Its IUPAC name is 3-fluoro-3-(trifluoromethyl)oxane.

Molecular Properties

Compound Name3-fluoro-3-(trifluoromethyl)oxane
PubChem CID163857250
Molecular FormulaC6H8F4O
Molecular Weight172.12 g/mol
Exact Mass172.05
IUPAC Name3-fluoro-3-(trifluoromethyl)oxane
SMILESFC(F)(F)C1(F)CCCOC1
InChIInChI=1S/C6H8F4O/c7-5(6(8,9)10)2-1-3-11-4-5/h1-4H2
InChIKeyOZIYTUVIWJWCSU-UHFFFAOYSA-N
XLogP2.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.12
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,3,4,4,5,5-Hexafluorotetrahydro-2H-pyran
CID 129806523
4-(Trifluoromethyl)tetrahydro-2H-pyran
CID 54105449
2H-Pyran, 4-(difluoromethyl)tetrahydro-
CID 97890136
2-Fluoro-2-methyl-1-(2,2,2-trifluoroethoxy)pentane
CID 10798148
1,1,1,2,3,4,5,5,5-Nonafluoro-2-(([2,3,4,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pentyl]oxy)methyl)-4-(trifluoromethyl)pentane
CID 91743406
3-(Fluoromethyl)oxane
CID 15311411
2,2-Difluorooxane
CID 22129383
2,2,4,5,5-Pentafluoro-4-(fluoromethyl)oxane
CID 53839736
4,4-Difluoro-tetrahydro-2H-pyran
CID 58056804
1,1,1,2,3,4,5,5,5-Nonafluoro-2-(propoxymethyl)-4-(trifluoromethyl)pentane
CID 58901193
2,2,3,3,5-Pentafluoro-4-(fluoromethyl)oxane
CID 58957487
2,2,3,3-Tetrafluorooxane
CID 58957492

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(trifluoromethyl)oxane?
The IUPAC name of 3-fluoro-3-(trifluoromethyl)oxane (CID 163857250) is 3-fluoro-3-(trifluoromethyl)oxane.
What is the SMILES notation for 3-fluoro-3-(trifluoromethyl)oxane?
The canonical SMILES for 3-fluoro-3-(trifluoromethyl)oxane is FC(F)(F)C1(F)CCCOC1.
What is the InChIKey of 3-fluoro-3-(trifluoromethyl)oxane?
The InChIKey is OZIYTUVIWJWCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F4O/c7-5(6(8,9)10)2-1-3-11-4-5/h1-4H2.
What are the key properties of 3-fluoro-3-(trifluoromethyl)oxane?
3-fluoro-3-(trifluoromethyl)oxane has a molecular weight of 172.12 g/mol, XLogP of 2.07, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(trifluoromethyl)oxane is sourced from PubChem (CID 163857250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).