3-(1,1-difluoroethyl)-3-fluorooxane

C7H11F3O — CID 58078346

IUPAC3-(1,1-difluoroethyl)-3-fluorooxane
SMILESCC(F)(F)C1(F)CCCOC1
InChIInChI=1S/C7H11F3O/c1-6(8,9)7(10)3-2-4-11-5-7/h2-5H2,1H3
InChIKeyRWZOOTWKKGZRIS-UHFFFAOYSA-N
MW168.16 g/mol
LogP2.16
Rot. Bonds1

About 3-(1,1-difluoroethyl)-3-fluorooxane

3-(1,1-difluoroethyl)-3-fluorooxane (PubChem CID 58078346) has the molecular formula C7H11F3O and a molecular weight of 168.16 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-3-fluorooxane.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-3-fluorooxane
PubChem CID58078346
Molecular FormulaC7H11F3O
Molecular Weight168.16 g/mol
Exact Mass168.08
IUPAC Name3-(1,1-difluoroethyl)-3-fluorooxane
SMILESCC(F)(F)C1(F)CCCOC1
InChIInChI=1S/C7H11F3O/c1-6(8,9)7(10)3-2-4-11-5-7/h2-5H2,1H3
InChIKeyRWZOOTWKKGZRIS-UHFFFAOYSA-N
XLogP2.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Trifluoro-methyl-4-methyltetrahydropyran
CID 129270069
3-(1-Fluoroethyl)oxane
CID 21136565
1-Ethoxy-1,1,2,2,3,4,4,5,5-nonafluoro-3-(trifluoromethyl)hexane
CID 22088870
(4S)-2,4-dimethyl-2-(trifluoromethyl)oxane
CID 57682168
2,2-Difluoro-3,6-dimethyloxane
CID 57702275
3-(1,1-Difluoroethyl)-5-ethyl-2,2,3,5,6,6-hexafluorooxane
CID 58488788
3-Ethyl-2,2,3,5,5,6,6-heptafluorooxane
CID 58488795
3-Ethyl-2-fluorooxane
CID 58813258
1-(1,1-Difluoropropoxy)-4,4-difluoro-3-(trifluoromethyl)hexane
CID 59172657
3,3-Difluoro-2,5-dimethyloxane
CID 59227700
4-Methyl-3-(trifluoromethyl)oxane
CID 59735049
2,2-Difluoro-5-methyloxane
CID 59876024

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-3-fluorooxane?
The IUPAC name of 3-(1,1-difluoroethyl)-3-fluorooxane (CID 58078346) is 3-(1,1-difluoroethyl)-3-fluorooxane.
What is the SMILES notation for 3-(1,1-difluoroethyl)-3-fluorooxane?
The canonical SMILES for 3-(1,1-difluoroethyl)-3-fluorooxane is CC(F)(F)C1(F)CCCOC1.
What is the InChIKey of 3-(1,1-difluoroethyl)-3-fluorooxane?
The InChIKey is RWZOOTWKKGZRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3O/c1-6(8,9)7(10)3-2-4-11-5-7/h2-5H2,1H3.
What are the key properties of 3-(1,1-difluoroethyl)-3-fluorooxane?
3-(1,1-difluoroethyl)-3-fluorooxane has a molecular weight of 168.16 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)-3-fluorooxane is sourced from PubChem (CID 58078346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).