2-(2,2-difluoropropoxymethyl)oxane

C9H16F2O2 — CID 118403396

IUPAC2-(2,2-difluoropropoxymethyl)oxane
SMILESCC(F)(F)COCC1CCCCO1
InChIInChI=1S/C9H16F2O2/c1-9(10,11)7-12-6-8-4-2-3-5-13-8/h8H,2-7H2,1H3
InChIKeyITZNWBWLRKCFRC-UHFFFAOYSA-N
MW194.22 g/mol
LogP2.23
Rot. Bonds4

About 2-(2,2-difluoropropoxymethyl)oxane

2-(2,2-difluoropropoxymethyl)oxane (PubChem CID 118403396) has the molecular formula C9H16F2O2 and a molecular weight of 194.22 g/mol. Its IUPAC name is 2-(2,2-difluoropropoxymethyl)oxane.

Molecular Properties

Compound Name2-(2,2-difluoropropoxymethyl)oxane
PubChem CID118403396
Molecular FormulaC9H16F2O2
Molecular Weight194.22 g/mol
Exact Mass194.11
IUPAC Name2-(2,2-difluoropropoxymethyl)oxane
SMILESCC(F)(F)COCC1CCCCO1
InChIInChI=1S/C9H16F2O2/c1-9(10,11)7-12-6-8-4-2-3-5-13-8/h8H,2-7H2,1H3
InChIKeyITZNWBWLRKCFRC-UHFFFAOYSA-N
XLogP2.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

n-Butyl-dioxane
CID 20133112
(3R,4R,5S,6S)-2-fluoro-3,4,5-trimethoxy-6-methyloxane
CID 134895222
1-[1,1,2-Trifluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethoxy]hexane
CID 134921020
1,2-Bis(3-fluoropropoxy)pentane
CID 57074039
2-(2-Butan-2-yloxyethoxymethyl)-2,3,3,4,4,5,5,6,6-nonafluorooxane
CID 57689089
2-(2-Butoxy-3,3,3-trifluoropropoxy)hexane
CID 58185816
1,1-Difluoro-2-propan-2-yloxycyclohexane
CID 58303690
1-(1,1-Difluorobutoxy)-4-fluorocyclohexane
CID 58725487
2-(3,3,4,4,5,5-Hexafluoropentyl)-3-methyl-1,4-dioxane
CID 59741553
2-[3,3-Difluoro-3-(trifluoromethoxy)propyl]-3,5,6-trimethyl-1,4-dioxane
CID 59741560
2-Methyl-3-(3,3,3-trifluoropropyl)-1,4-dioxane
CID 59741575
2-Methyl-3-(3,3,3-trifluoropropyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxine
CID 59741588

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoropropoxymethyl)oxane?
The IUPAC name of 2-(2,2-difluoropropoxymethyl)oxane (CID 118403396) is 2-(2,2-difluoropropoxymethyl)oxane.
What is the SMILES notation for 2-(2,2-difluoropropoxymethyl)oxane?
The canonical SMILES for 2-(2,2-difluoropropoxymethyl)oxane is CC(F)(F)COCC1CCCCO1.
What is the InChIKey of 2-(2,2-difluoropropoxymethyl)oxane?
The InChIKey is ITZNWBWLRKCFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2O2/c1-9(10,11)7-12-6-8-4-2-3-5-13-8/h8H,2-7H2,1H3.
What are the key properties of 2-(2,2-difluoropropoxymethyl)oxane?
2-(2,2-difluoropropoxymethyl)oxane has a molecular weight of 194.22 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoropropoxymethyl)oxane is sourced from PubChem (CID 118403396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).