4-(1,1-difluoropropyl)-4,5-difluoro-5-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolane

C9H8F10O2 — CID 122581265

IUPAC4-(1,1-difluoropropyl)-4,5-difluoro-5-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolane
SMILESCCC(F)(F)C1(F)OC(C(F)(F)F)(C(F)(F)F)OC1(C)F
InChIInChI=1S/C9H8F10O2/c1-3-5(11,12)6(13)4(2,10)20-7(21-6,8(14,15)16)9(17,18)19/h3H2,1-2H3
InChIKeyVBTXCOMGXNEKRU-UHFFFAOYSA-N
MW338.14 g/mol
LogP4.25
Rot. Bonds2

About 4-(1,1-difluoropropyl)-4,5-difluoro-5-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolane

4-(1,1-difluoropropyl)-4,5-difluoro-5-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolane (PubChem CID 122581265) has the molecular formula C9H8F10O2 and a molecular weight of 338.14 g/mol. Its IUPAC name is 4-(1,1-difluoropropyl)-4,5-difluoro-5-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name4-(1,1-difluoropropyl)-4,5-difluoro-5-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolane
PubChem CID122581265
Molecular FormulaC9H8F10O2
Molecular Weight338.14 g/mol
Exact Mass338.04
IUPAC Name4-(1,1-difluoropropyl)-4,5-difluoro-5-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolane
SMILESCCC(F)(F)C1(F)OC(C(F)(F)F)(C(F)(F)F)OC1(C)F
InChIInChI=1S/C9H8F10O2/c1-3-5(11,12)6(13)4(2,10)20-7(21-6,8(14,15)16)9(17,18)19/h3H2,1-2H3
InChIKeyVBTXCOMGXNEKRU-UHFFFAOYSA-N
XLogP4.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.14
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoropropyl)-4,5-difluoro-5-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of 4-(1,1-difluoropropyl)-4,5-difluoro-5-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolane (CID 122581265) is 4-(1,1-difluoropropyl)-4,5-difluoro-5-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for 4-(1,1-difluoropropyl)-4,5-difluoro-5-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for 4-(1,1-difluoropropyl)-4,5-difluoro-5-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolane is CCC(F)(F)C1(F)OC(C(F)(F)F)(C(F)(F)F)OC1(C)F.
What is the InChIKey of 4-(1,1-difluoropropyl)-4,5-difluoro-5-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolane?
The InChIKey is VBTXCOMGXNEKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F10O2/c1-3-5(11,12)6(13)4(2,10)20-7(21-6,8(14,15)16)9(17,18)19/h3H2,1-2H3.
What are the key properties of 4-(1,1-difluoropropyl)-4,5-difluoro-5-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolane?
4-(1,1-difluoropropyl)-4,5-difluoro-5-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolane has a molecular weight of 338.14 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoropropyl)-4,5-difluoro-5-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 122581265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).