2-(1,1-difluoro-2-methylpropyl)-2-(2-methylbutan-2-yl)-1,3-dioxolane

C12H22F2O2 — CID 71056986

IUPAC2-(1,1-difluoro-2-methylpropyl)-2-(2-methylbutan-2-yl)-1,3-dioxolane
SMILESCCC(C)(C)C1(C(F)(F)C(C)C)OCCO1
InChIInChI=1S/C12H22F2O2/c1-6-10(4,5)12(15-7-8-16-12)11(13,14)9(2)3/h9H,6-8H2,1-5H3
InChIKeyLNLZVVWTAMDSJM-UHFFFAOYSA-N
MW236.30 g/mol
LogP3.46
Rot. Bonds4

About 2-(1,1-difluoro-2-methylpropyl)-2-(2-methylbutan-2-yl)-1,3-dioxolane

2-(1,1-difluoro-2-methylpropyl)-2-(2-methylbutan-2-yl)-1,3-dioxolane (PubChem CID 71056986) has the molecular formula C12H22F2O2 and a molecular weight of 236.30 g/mol. Its IUPAC name is 2-(1,1-difluoro-2-methylpropyl)-2-(2-methylbutan-2-yl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(1,1-difluoro-2-methylpropyl)-2-(2-methylbutan-2-yl)-1,3-dioxolane
PubChem CID71056986
Molecular FormulaC12H22F2O2
Molecular Weight236.30 g/mol
Exact Mass236.16
IUPAC Name2-(1,1-difluoro-2-methylpropyl)-2-(2-methylbutan-2-yl)-1,3-dioxolane
SMILESCCC(C)(C)C1(C(F)(F)C(C)C)OCCO1
InChIInChI=1S/C12H22F2O2/c1-6-10(4,5)12(15-7-8-16-12)11(13,14)9(2)3/h9H,6-8H2,1-5H3
InChIKeyLNLZVVWTAMDSJM-UHFFFAOYSA-N
XLogP3.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(1,1-difluoro-2-methylpropyl)-2-(2-methylbutan-2-yl)-1,3-dioxolane with MolForge

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Related Compounds

2-tert-butyl-2-(1,1-difluoropropyl)-1,3-dioxolane
CID 71039348
3,6-difluoro-2,3,6-trimethyloctane
CID 167073987
2,2-bis(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolane
CID 86167769
2,3-dimethyl-3-(trifluoromethyl)pentane
CID 129215911
3-fluoro-2,3,5,5-tetramethylheptane
CID 89233452
butan-2-yl-oxido-[[8-(trifluoromethyl)-1,4-dioxaspiro[4.5]decan-8-yl]amino]sulfanium
CID 175955467
fluoromethane;2-methylpropane;1,1,1-trifluoropropane
CID 161219441
N-ethyl-2-fluoro-N-propan-2-ylbutan-2-amine
CID 155460840
3-(1,1-difluoro-2-methylpropyl)bicyclo[1.1.1]pentan-1-amine
CID 142474680
3-methyl-3-(2-methylbutan-2-yl)oxane
CID 144692005
(3S)-3-fluoro-2,3-dimethylhexane
CID 169026252
3-fluoro-3,4-dimethylhexane
CID 153400772

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoro-2-methylpropyl)-2-(2-methylbutan-2-yl)-1,3-dioxolane?
The IUPAC name of 2-(1,1-difluoro-2-methylpropyl)-2-(2-methylbutan-2-yl)-1,3-dioxolane (CID 71056986) is 2-(1,1-difluoro-2-methylpropyl)-2-(2-methylbutan-2-yl)-1,3-dioxolane.
What is the SMILES notation for 2-(1,1-difluoro-2-methylpropyl)-2-(2-methylbutan-2-yl)-1,3-dioxolane?
The canonical SMILES for 2-(1,1-difluoro-2-methylpropyl)-2-(2-methylbutan-2-yl)-1,3-dioxolane is CCC(C)(C)C1(C(F)(F)C(C)C)OCCO1.
What is the InChIKey of 2-(1,1-difluoro-2-methylpropyl)-2-(2-methylbutan-2-yl)-1,3-dioxolane?
The InChIKey is LNLZVVWTAMDSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2O2/c1-6-10(4,5)12(15-7-8-16-12)11(13,14)9(2)3/h9H,6-8H2,1-5H3.
What are the key properties of 2-(1,1-difluoro-2-methylpropyl)-2-(2-methylbutan-2-yl)-1,3-dioxolane?
2-(1,1-difluoro-2-methylpropyl)-2-(2-methylbutan-2-yl)-1,3-dioxolane has a molecular weight of 236.30 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoro-2-methylpropyl)-2-(2-methylbutan-2-yl)-1,3-dioxolane is sourced from PubChem (CID 71056986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).