(4S)-4-(difluoromethyl)-2,2-dimethyl-1,3-dioxolane

C6H10F2O2 — CID 90478036

IUPAC(4S)-4-(difluoromethyl)-2,2-dimethyl-1,3-dioxolane
SMILESCC1(C)OC[C@@H](C(F)F)O1
InChIInChI=1S/C6H10F2O2/c1-6(2)9-3-4(10-6)5(7)8/h4-5H,3H2,1-2H3/t4-/m0/s1
InChIKeyNCMCSESRXUFYGO-BYPYZUCNSA-N
MW152.14 g/mol
LogP1.40
Rot. Bonds1

About (4S)-4-(difluoromethyl)-2,2-dimethyl-1,3-dioxolane

(4S)-4-(difluoromethyl)-2,2-dimethyl-1,3-dioxolane (PubChem CID 90478036) has the molecular formula C6H10F2O2 and a molecular weight of 152.14 g/mol. Its IUPAC name is (4S)-4-(difluoromethyl)-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name(4S)-4-(difluoromethyl)-2,2-dimethyl-1,3-dioxolane
PubChem CID90478036
Molecular FormulaC6H10F2O2
Molecular Weight152.14 g/mol
Exact Mass152.06
IUPAC Name(4S)-4-(difluoromethyl)-2,2-dimethyl-1,3-dioxolane
SMILESCC1(C)OC[C@@H](C(F)F)O1
InChIInChI=1S/C6H10F2O2/c1-6(2)9-3-4(10-6)5(7)8/h4-5H,3H2,1-2H3/t4-/m0/s1
InChIKeyNCMCSESRXUFYGO-BYPYZUCNSA-N
XLogP1.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.14
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,4-Trimethyl-1,3-dioxolane
CID 62384
2,2-Bis(trifluoromethyl)-1,3-dioxolane
CID 120560
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
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
(4R)-4-(difluoromethyl)-2,2-dimethyl-1,3-dioxolane
CID 10953703
(4R,5R)-4,5-bis(fluoromethyl)-2,2-dimethyl-1,3-dioxolane
CID 7021497
2,2-Dimethyl-4-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]-1,3-dioxolane
CID 10893921

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(difluoromethyl)-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of (4S)-4-(difluoromethyl)-2,2-dimethyl-1,3-dioxolane (CID 90478036) is (4S)-4-(difluoromethyl)-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for (4S)-4-(difluoromethyl)-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for (4S)-4-(difluoromethyl)-2,2-dimethyl-1,3-dioxolane is CC1(C)OC[C@@H](C(F)F)O1.
What is the InChIKey of (4S)-4-(difluoromethyl)-2,2-dimethyl-1,3-dioxolane?
The InChIKey is NCMCSESRXUFYGO-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H10F2O2/c1-6(2)9-3-4(10-6)5(7)8/h4-5H,3H2,1-2H3/t4-/m0/s1.
What are the key properties of (4S)-4-(difluoromethyl)-2,2-dimethyl-1,3-dioxolane?
(4S)-4-(difluoromethyl)-2,2-dimethyl-1,3-dioxolane has a molecular weight of 152.14 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(difluoromethyl)-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 90478036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).