4,4-difluoro-2-propyloxolane

C7H12F2O — CID 170980405

IUPAC4,4-difluoro-2-propyloxolane
SMILESCCCC1CC(F)(F)CO1
InChIInChI=1S/C7H12F2O/c1-2-3-6-4-7(8,9)5-10-6/h6H,2-5H2,1H3
InChIKeyVVSRIYRETBKNOQ-UHFFFAOYSA-N
MW150.17 g/mol
LogP2.21
Rot. Bonds2

About 4,4-difluoro-2-propyloxolane

4,4-difluoro-2-propyloxolane (PubChem CID 170980405) has the molecular formula C7H12F2O and a molecular weight of 150.17 g/mol. Its IUPAC name is 4,4-difluoro-2-propyloxolane.

Molecular Properties

Compound Name4,4-difluoro-2-propyloxolane
PubChem CID170980405
Molecular FormulaC7H12F2O
Molecular Weight150.17 g/mol
Exact Mass150.09
IUPAC Name4,4-difluoro-2-propyloxolane
SMILESCCCC1CC(F)(F)CO1
InChIInChI=1S/C7H12F2O/c1-2-3-6-4-7(8,9)5-10-6/h6H,2-5H2,1H3
InChIKeyVVSRIYRETBKNOQ-UHFFFAOYSA-N
XLogP2.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.17
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4,4-difluoro-2-(2-methylpropyl)oxolane
CID 171468236
(2R,4R)-4-fluoro-2-heptyl-4-methyloxolane
CID 11275709
(2S,4R)-4-methyl-2-propyloxan-4-ol
CID 45083243
(2,2-difluoro-6-oxaspiro[3.4]octan-7-yl)methanol
CID 162422509
(4R,5S)-5-chloro-4-methyl-2-propyloxan-4-ol
CID 130765140
CID 175475934
CID 175475934
4,4-difluoro-N-methyloxolan-2-amine;hydrochloride
CID 175578113
(5-propyl-6-oxaspiro[2.5]octan-2-yl)methanol
CID 81358520
2-propyl-4-(2,4,5-trimethylphenyl)oxan-4-ol
CID 64984799
(3S,5R)-3-pentyl-2-oxaspiro[4.4]nonan-9-one
CID 46896868
(8,8-difluoro-2-oxaspiro[4.4]nonan-3-yl)methanol
CID 162422511
4-(2-methylprop-1-enyl)-2-propyloxan-4-ol
CID 79189913

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-2-propyloxolane?
The IUPAC name of 4,4-difluoro-2-propyloxolane (CID 170980405) is 4,4-difluoro-2-propyloxolane.
What is the SMILES notation for 4,4-difluoro-2-propyloxolane?
The canonical SMILES for 4,4-difluoro-2-propyloxolane is CCCC1CC(F)(F)CO1.
What is the InChIKey of 4,4-difluoro-2-propyloxolane?
The InChIKey is VVSRIYRETBKNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2O/c1-2-3-6-4-7(8,9)5-10-6/h6H,2-5H2,1H3.
What are the key properties of 4,4-difluoro-2-propyloxolane?
4,4-difluoro-2-propyloxolane has a molecular weight of 150.17 g/mol, XLogP of 2.21, 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-propyloxolane is sourced from PubChem (CID 170980405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).