4-butan-2-yl-2,2-difluoro-5-methyl-1,3-dioxolane

C8H14F2O2 — CID 143715525

IUPAC4-butan-2-yl-2,2-difluoro-5-methyl-1,3-dioxolane
SMILESCCC(C)C1OC(F)(F)OC1C
InChIInChI=1S/C8H14F2O2/c1-4-5(2)7-6(3)11-8(9,10)12-7/h5-7H,4H2,1-3H3
InChIKeyQCCLKDKBASVHAT-UHFFFAOYSA-N
MW180.19 g/mol
LogP2.39
Rot. Bonds2

About 4-butan-2-yl-2,2-difluoro-5-methyl-1,3-dioxolane

4-butan-2-yl-2,2-difluoro-5-methyl-1,3-dioxolane (PubChem CID 143715525) has the molecular formula C8H14F2O2 and a molecular weight of 180.19 g/mol. Its IUPAC name is 4-butan-2-yl-2,2-difluoro-5-methyl-1,3-dioxolane.

Molecular Properties

Compound Name4-butan-2-yl-2,2-difluoro-5-methyl-1,3-dioxolane
PubChem CID143715525
Molecular FormulaC8H14F2O2
Molecular Weight180.19 g/mol
Exact Mass180.10
IUPAC Name4-butan-2-yl-2,2-difluoro-5-methyl-1,3-dioxolane
SMILESCCC(C)C1OC(F)(F)OC1C
InChIInChI=1S/C8H14F2O2/c1-4-5(2)7-6(3)11-8(9,10)12-7/h5-7H,4H2,1-3H3
InChIKeyQCCLKDKBASVHAT-UHFFFAOYSA-N
XLogP2.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.19
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-Ethyl-3,3,4,4,5,5,5-heptafluoropentyl)-1,3-dioxolan-2-one
CID 21263529
(4S)-4-[(1S,3R)-3-ethyl-2,2-difluorocyclopropyl]-2,2-dimethyl-1,3-dioxolane
CID 59958788
(4S)-4-[(1R,3R)-3-ethyl-2,2-difluorocyclopropyl]-2,2-dimethyl-1,3-dioxolane
CID 59958789
(4S)-4-[(1S,3S)-3-ethyl-2,2-difluorocyclopropyl]-2,2-dimethyl-1,3-dioxolane
CID 59958791
(4S)-4-[(1R,3S)-3-ethyl-2,2-difluorocyclopropyl]-2,2-dimethyl-1,3-dioxolane
CID 59958795
(4S)-4-[(2R)-3-fluoro-3-methylbutan-2-yl]-2,2-dimethyl-1,3-dioxolane
CID 89090354
2,2,4-Trifluoro-5-methyl-4-(3-methylbutan-2-yl)-1,3-dioxolane
CID 90715762
2,2,4,5-Tetrafluoro-4-methyl-5-(3-methylbutan-2-yl)-1,3-dioxolane
CID 91328787
2,2,4-Trifluoro-5-methyl-4-propan-2-yl-1,3-dioxolane
CID 91583322
4,5-Ditert-butyl-2,2-difluoro-1,3-dioxolane
CID 118300586
4-Tert-butyl-5-ethyl-2,2-difluoro-1,3-dioxolane
CID 126555108
4-Tert-butyl-2,2-difluoro-5-methyl-1,3-dioxolane
CID 146888380

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-2,2-difluoro-5-methyl-1,3-dioxolane?
The IUPAC name of 4-butan-2-yl-2,2-difluoro-5-methyl-1,3-dioxolane (CID 143715525) is 4-butan-2-yl-2,2-difluoro-5-methyl-1,3-dioxolane.
What is the SMILES notation for 4-butan-2-yl-2,2-difluoro-5-methyl-1,3-dioxolane?
The canonical SMILES for 4-butan-2-yl-2,2-difluoro-5-methyl-1,3-dioxolane is CCC(C)C1OC(F)(F)OC1C.
What is the InChIKey of 4-butan-2-yl-2,2-difluoro-5-methyl-1,3-dioxolane?
The InChIKey is QCCLKDKBASVHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2O2/c1-4-5(2)7-6(3)11-8(9,10)12-7/h5-7H,4H2,1-3H3.
What are the key properties of 4-butan-2-yl-2,2-difluoro-5-methyl-1,3-dioxolane?
4-butan-2-yl-2,2-difluoro-5-methyl-1,3-dioxolane has a molecular weight of 180.19 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-2,2-difluoro-5-methyl-1,3-dioxolane is sourced from PubChem (CID 143715525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).