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

C10H11F9O2 — CID 134525061

IUPAC4,5-difluoro-2-(3-fluorobutan-2-yl)-2-methyl-4,5-bis(trifluoromethyl)-1,3-dioxolane
SMILESCC(F)C(C)C1(C)OC(F)(C(F)(F)F)C(F)(C(F)(F)F)O1
InChIInChI=1S/C10H11F9O2/c1-4(5(2)11)6(3)20-7(12,9(14,15)16)8(13,21-6)10(17,18)19/h4-5H,1-3H3
InChIKeySNADTBFLQHKQAH-UHFFFAOYSA-N
MW334.18 g/mol
LogP4.20
Rot. Bonds2

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

4,5-difluoro-2-(3-fluorobutan-2-yl)-2-methyl-4,5-bis(trifluoromethyl)-1,3-dioxolane (PubChem CID 134525061) has the molecular formula C10H11F9O2 and a molecular weight of 334.18 g/mol. Its IUPAC name is 4,5-difluoro-2-(3-fluorobutan-2-yl)-2-methyl-4,5-bis(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name4,5-difluoro-2-(3-fluorobutan-2-yl)-2-methyl-4,5-bis(trifluoromethyl)-1,3-dioxolane
PubChem CID134525061
Molecular FormulaC10H11F9O2
Molecular Weight334.18 g/mol
Exact Mass334.06
IUPAC Name4,5-difluoro-2-(3-fluorobutan-2-yl)-2-methyl-4,5-bis(trifluoromethyl)-1,3-dioxolane
SMILESCC(F)C(C)C1(C)OC(F)(C(F)(F)F)C(F)(C(F)(F)F)O1
InChIInChI=1S/C10H11F9O2/c1-4(5(2)11)6(3)20-7(12,9(14,15)16)8(13,21-6)10(17,18)19/h4-5H,1-3H3
InChIKeySNADTBFLQHKQAH-UHFFFAOYSA-N
XLogP4.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.18
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-2-(3-fluorobutan-2-yl)-2-methyl-4,5-bis(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of 4,5-difluoro-2-(3-fluorobutan-2-yl)-2-methyl-4,5-bis(trifluoromethyl)-1,3-dioxolane (CID 134525061) is 4,5-difluoro-2-(3-fluorobutan-2-yl)-2-methyl-4,5-bis(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for 4,5-difluoro-2-(3-fluorobutan-2-yl)-2-methyl-4,5-bis(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for 4,5-difluoro-2-(3-fluorobutan-2-yl)-2-methyl-4,5-bis(trifluoromethyl)-1,3-dioxolane is CC(F)C(C)C1(C)OC(F)(C(F)(F)F)C(F)(C(F)(F)F)O1.
What is the InChIKey of 4,5-difluoro-2-(3-fluorobutan-2-yl)-2-methyl-4,5-bis(trifluoromethyl)-1,3-dioxolane?
The InChIKey is SNADTBFLQHKQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F9O2/c1-4(5(2)11)6(3)20-7(12,9(14,15)16)8(13,21-6)10(17,18)19/h4-5H,1-3H3.
What are the key properties of 4,5-difluoro-2-(3-fluorobutan-2-yl)-2-methyl-4,5-bis(trifluoromethyl)-1,3-dioxolane?
4,5-difluoro-2-(3-fluorobutan-2-yl)-2-methyl-4,5-bis(trifluoromethyl)-1,3-dioxolane has a molecular weight of 334.18 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-2-(3-fluorobutan-2-yl)-2-methyl-4,5-bis(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 134525061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).