4,4-difluoro-2-(2-methylpropyl)oxolane

C8H14F2O — CID 171468236

IUPAC4,4-difluoro-2-(2-methylpropyl)oxolane
SMILESCC(C)CC1CC(F)(F)CO1
InChIInChI=1S/C8H14F2O/c1-6(2)3-7-4-8(9,10)5-11-7/h6-7H,3-5H2,1-2H3
InChIKeyQQARFTFKCZZAGR-UHFFFAOYSA-N
MW164.19 g/mol
LogP2.46
Rot. Bonds2

About 4,4-difluoro-2-(2-methylpropyl)oxolane

4,4-difluoro-2-(2-methylpropyl)oxolane (PubChem CID 171468236) has the molecular formula C8H14F2O and a molecular weight of 164.19 g/mol. Its IUPAC name is 4,4-difluoro-2-(2-methylpropyl)oxolane.

Molecular Properties

Compound Name4,4-difluoro-2-(2-methylpropyl)oxolane
PubChem CID171468236
Molecular FormulaC8H14F2O
Molecular Weight164.19 g/mol
Exact Mass164.10
IUPAC Name4,4-difluoro-2-(2-methylpropyl)oxolane
SMILESCC(C)CC1CC(F)(F)CO1
InChIInChI=1S/C8H14F2O/c1-6(2)3-7-4-8(9,10)5-11-7/h6-7H,3-5H2,1-2H3
InChIKeyQQARFTFKCZZAGR-UHFFFAOYSA-N
XLogP2.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.19
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4,4-difluoro-2-propyloxolane
CID 170980405
4-methyl-2-(2-methylpropyl)oxan-4-ol
CID 3017432
(2,2-difluoro-6-oxaspiro[3.4]octan-7-yl)methanol
CID 162422509
3,3-dimethyl-2-(2-methylpropyl)oxetane
CID 171398553
1,1,2,2-tetrafluoro-3-(2-methylpropyl)cyclobutane
CID 157031904
[4-methyl-2-(2-methylpropyl)oxan-4-yl] formate
CID 165350827
4,4-difluoro-N-methyloxolan-2-amine;hydrochloride
CID 175578113
(2R)-2-(2-methylpropyl)oxane
CID 58653197
[5-(2-methylpropyl)-1,4-dioxan-2-yl]methanol
CID 153300794
5-(2-methylpropyl)-1,3-oxazolidine
CID 157110227
(8,8-difluoro-2-oxaspiro[4.4]nonan-3-yl)methanol
CID 162422511
(2S)-6,6-difluoro-2-(propan-2-yloxymethyl)-1,4-oxazepane
CID 176863619

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-2-(2-methylpropyl)oxolane?
The IUPAC name of 4,4-difluoro-2-(2-methylpropyl)oxolane (CID 171468236) is 4,4-difluoro-2-(2-methylpropyl)oxolane.
What is the SMILES notation for 4,4-difluoro-2-(2-methylpropyl)oxolane?
The canonical SMILES for 4,4-difluoro-2-(2-methylpropyl)oxolane is CC(C)CC1CC(F)(F)CO1.
What is the InChIKey of 4,4-difluoro-2-(2-methylpropyl)oxolane?
The InChIKey is QQARFTFKCZZAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2O/c1-6(2)3-7-4-8(9,10)5-11-7/h6-7H,3-5H2,1-2H3.
What are the key properties of 4,4-difluoro-2-(2-methylpropyl)oxolane?
4,4-difluoro-2-(2-methylpropyl)oxolane has a molecular weight of 164.19 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-2-(2-methylpropyl)oxolane is sourced from PubChem (CID 171468236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).