(4R,5R)-4,5-bis(fluoromethyl)-2,2-dimethyl-1,3-dioxolane

C7H12F2O2 — CID 7021497

IUPAC(4R,5R)-4,5-bis(fluoromethyl)-2,2-dimethyl-1,3-dioxolane
SMILESCC1(C)O[C@@H](CF)[C@H](CF)O1
InChIInChI=1S/C7H12F2O2/c1-7(2)10-5(3-8)6(4-9)11-7/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1
InChIKeyLFHJRQWZIPGXAM-WDSKDSINSA-N
MW166.17 g/mol
LogP1.45
Rot. Bonds2

About (4R,5R)-4,5-bis(fluoromethyl)-2,2-dimethyl-1,3-dioxolane

(4R,5R)-4,5-bis(fluoromethyl)-2,2-dimethyl-1,3-dioxolane (PubChem CID 7021497) has the molecular formula C7H12F2O2 and a molecular weight of 166.17 g/mol. Its IUPAC name is (4R,5R)-4,5-bis(fluoromethyl)-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name(4R,5R)-4,5-bis(fluoromethyl)-2,2-dimethyl-1,3-dioxolane
PubChem CID7021497
Molecular FormulaC7H12F2O2
Molecular Weight166.17 g/mol
Exact Mass166.08
IUPAC Name(4R,5R)-4,5-bis(fluoromethyl)-2,2-dimethyl-1,3-dioxolane
SMILESCC1(C)O[C@@H](CF)[C@H](CF)O1
InChIInChI=1S/C7H12F2O2/c1-7(2)10-5(3-8)6(4-9)11-7/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1
InChIKeyLFHJRQWZIPGXAM-WDSKDSINSA-N
XLogP1.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.17
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,4-Trimethyl-1,3-dioxolane
CID 62384
2-Ethyl-2-methyl-1,3-dioxolane
CID 61067
2,2-Dimethyl-1,3-dioxolane
CID 76209
2,2-Difluoro-4,5-dimethyl-1,3-dioxolane
CID 18923912
2,2-Difluoro-4-propyl-1,3-dioxolane
CID 18923918
4-(Difluoromethyl)-2,2-dimethyl-1,3-dioxolane
CID 23236997
(S)-4-(Difluoromethyl)-2,2-dimethyl-1,3-dioxolane
CID 90478036
2,2-Dimethoxy-4-(trifluoromethyl)-1,3-dioxolane
CID 168719911
2,2,4,5-Tetramethyl-1,3-dioxolane
CID 519372
1,3-Dioxolane, 2,2,4,5-tetramethyl-, cis-
CID 12914092
1,3-Dioxolane, 2,2,4,5-tetramethyl-, trans-
CID 12914093
4-(Methoxymethyl)-2,2-dimethyl-1,3-dioxolane
CID 15570874

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4,5-bis(fluoromethyl)-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of (4R,5R)-4,5-bis(fluoromethyl)-2,2-dimethyl-1,3-dioxolane (CID 7021497) is (4R,5R)-4,5-bis(fluoromethyl)-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for (4R,5R)-4,5-bis(fluoromethyl)-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for (4R,5R)-4,5-bis(fluoromethyl)-2,2-dimethyl-1,3-dioxolane is CC1(C)O[C@@H](CF)[C@H](CF)O1.
What is the InChIKey of (4R,5R)-4,5-bis(fluoromethyl)-2,2-dimethyl-1,3-dioxolane?
The InChIKey is LFHJRQWZIPGXAM-WDSKDSINSA-N. The full InChI is InChI=1S/C7H12F2O2/c1-7(2)10-5(3-8)6(4-9)11-7/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1.
What are the key properties of (4R,5R)-4,5-bis(fluoromethyl)-2,2-dimethyl-1,3-dioxolane?
(4R,5R)-4,5-bis(fluoromethyl)-2,2-dimethyl-1,3-dioxolane has a molecular weight of 166.17 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4,5-bis(fluoromethyl)-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 7021497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).