(4S)-4-[(1R,3S)-3-ethyl-2,2-difluorocyclopropyl]-2,2-dimethyl-1,3-dioxolane

C10H16F2O2 — CID 59958795

IUPAC(4S)-4-[(1R,3S)-3-ethyl-2,2-difluorocyclopropyl]-2,2-dimethyl-1,3-dioxolane
SMILESCC[C@H]1[C@H]([C@H]2COC(C)(C)O2)C1(F)F
InChIInChI=1S/C10H16F2O2/c1-4-6-8(10(6,11)12)7-5-13-9(2,3)14-7/h6-8H,4-5H2,1-3H3/t6-,7+,8+/m0/s1
InChIKeyNSYWXPDOJBXTFK-XLPZGREQSA-N
MW206.23 g/mol
LogP2.43
Rot. Bonds2

About (4S)-4-[(1R,3S)-3-ethyl-2,2-difluorocyclopropyl]-2,2-dimethyl-1,3-dioxolane

(4S)-4-[(1R,3S)-3-ethyl-2,2-difluorocyclopropyl]-2,2-dimethyl-1,3-dioxolane (PubChem CID 59958795) has the molecular formula C10H16F2O2 and a molecular weight of 206.23 g/mol. Its IUPAC name is (4S)-4-[(1R,3S)-3-ethyl-2,2-difluorocyclopropyl]-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name(4S)-4-[(1R,3S)-3-ethyl-2,2-difluorocyclopropyl]-2,2-dimethyl-1,3-dioxolane
PubChem CID59958795
Molecular FormulaC10H16F2O2
Molecular Weight206.23 g/mol
Exact Mass206.11
IUPAC Name(4S)-4-[(1R,3S)-3-ethyl-2,2-difluorocyclopropyl]-2,2-dimethyl-1,3-dioxolane
SMILESCC[C@H]1[C@H]([C@H]2COC(C)(C)O2)C1(F)F
InChIInChI=1S/C10H16F2O2/c1-4-6-8(10(6,11)12)7-5-13-9(2,3)14-7/h6-8H,4-5H2,1-3H3/t6-,7+,8+/m0/s1
InChIKeyNSYWXPDOJBXTFK-XLPZGREQSA-N
XLogP2.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.23
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4S)-4-[(1R,3S)-3-ethyl-2,2-difluorocyclopropyl]-2,2-dimethyl-1,3-dioxolane with MolForge

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Related Compounds

4-[[Cyclohexyl(difluoro)methoxy]methyl]-2,2-dimethyl-1,3-dioxolane
CID 176426585
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
4-Butan-2-yl-2,2-difluoro-5-methyl-1,3-dioxolane
CID 143715525
(4R)-4-[3-(fluoromethyl)-2-methylhexyl]-2,2-dimethyl-1,3-dioxolane
CID 163418644
(4R)-4-[(2S,3S)-3-(fluoromethyl)-2-methylhexyl]-2,2-dimethyl-1,3-dioxolane
CID 166780857
1,2-Diethyl-4,7-dioxaspiro[2.4]heptane
CID 71437519
1-Methyl-2-propyl-4,7-dioxaspiro[2.4]heptane
CID 90470477
2-Hexyl-1-propyl-4,7-dioxaspiro[2.4]heptane
CID 134922768
1-Ethyl-2-hexyl-4,7-dioxaspiro[2.4]heptane
CID 134986448

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(1R,3S)-3-ethyl-2,2-difluorocyclopropyl]-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of (4S)-4-[(1R,3S)-3-ethyl-2,2-difluorocyclopropyl]-2,2-dimethyl-1,3-dioxolane (CID 59958795) is (4S)-4-[(1R,3S)-3-ethyl-2,2-difluorocyclopropyl]-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for (4S)-4-[(1R,3S)-3-ethyl-2,2-difluorocyclopropyl]-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for (4S)-4-[(1R,3S)-3-ethyl-2,2-difluorocyclopropyl]-2,2-dimethyl-1,3-dioxolane is CC[C@H]1[C@H]([C@H]2COC(C)(C)O2)C1(F)F.
What is the InChIKey of (4S)-4-[(1R,3S)-3-ethyl-2,2-difluorocyclopropyl]-2,2-dimethyl-1,3-dioxolane?
The InChIKey is NSYWXPDOJBXTFK-XLPZGREQSA-N. The full InChI is InChI=1S/C10H16F2O2/c1-4-6-8(10(6,11)12)7-5-13-9(2,3)14-7/h6-8H,4-5H2,1-3H3/t6-,7+,8+/m0/s1.
What are the key properties of (4S)-4-[(1R,3S)-3-ethyl-2,2-difluorocyclopropyl]-2,2-dimethyl-1,3-dioxolane?
(4S)-4-[(1R,3S)-3-ethyl-2,2-difluorocyclopropyl]-2,2-dimethyl-1,3-dioxolane has a molecular weight of 206.23 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(1R,3S)-3-ethyl-2,2-difluorocyclopropyl]-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 59958795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).