2-(1,1-difluoroethyl)-2,4-difluoro-3-methyl-4-propan-2-yloxane

C11H18F4O — CID 71079301

IUPAC2-(1,1-difluoroethyl)-2,4-difluoro-3-methyl-4-propan-2-yloxane
SMILESCC(C)C1(F)CCOC(F)(C(C)(F)F)C1C
InChIInChI=1S/C11H18F4O/c1-7(2)10(14)5-6-16-11(15,8(10)3)9(4,12)13/h7-8H,5-6H2,1-4H3
InChIKeyNBBYIFDVLXOXHY-UHFFFAOYSA-N
MW242.26 g/mol
LogP3.73
Rot. Bonds2

About 2-(1,1-difluoroethyl)-2,4-difluoro-3-methyl-4-propan-2-yloxane

2-(1,1-difluoroethyl)-2,4-difluoro-3-methyl-4-propan-2-yloxane (PubChem CID 71079301) has the molecular formula C11H18F4O and a molecular weight of 242.26 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-2,4-difluoro-3-methyl-4-propan-2-yloxane.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)-2,4-difluoro-3-methyl-4-propan-2-yloxane
PubChem CID71079301
Molecular FormulaC11H18F4O
Molecular Weight242.26 g/mol
Exact Mass242.13
IUPAC Name2-(1,1-difluoroethyl)-2,4-difluoro-3-methyl-4-propan-2-yloxane
SMILESCC(C)C1(F)CCOC(F)(C(C)(F)F)C1C
InChIInChI=1S/C11H18F4O/c1-7(2)10(14)5-6-16-11(15,8(10)3)9(4,12)13/h7-8H,5-6H2,1-4H3
InChIKeyNBBYIFDVLXOXHY-UHFFFAOYSA-N
XLogP3.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)-2,4-difluoro-3-methyl-4-propan-2-yloxane?
The IUPAC name of 2-(1,1-difluoroethyl)-2,4-difluoro-3-methyl-4-propan-2-yloxane (CID 71079301) is 2-(1,1-difluoroethyl)-2,4-difluoro-3-methyl-4-propan-2-yloxane.
What is the SMILES notation for 2-(1,1-difluoroethyl)-2,4-difluoro-3-methyl-4-propan-2-yloxane?
The canonical SMILES for 2-(1,1-difluoroethyl)-2,4-difluoro-3-methyl-4-propan-2-yloxane is CC(C)C1(F)CCOC(F)(C(C)(F)F)C1C.
What is the InChIKey of 2-(1,1-difluoroethyl)-2,4-difluoro-3-methyl-4-propan-2-yloxane?
The InChIKey is NBBYIFDVLXOXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F4O/c1-7(2)10(14)5-6-16-11(15,8(10)3)9(4,12)13/h7-8H,5-6H2,1-4H3.
What are the key properties of 2-(1,1-difluoroethyl)-2,4-difluoro-3-methyl-4-propan-2-yloxane?
2-(1,1-difluoroethyl)-2,4-difluoro-3-methyl-4-propan-2-yloxane has a molecular weight of 242.26 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethyl)-2,4-difluoro-3-methyl-4-propan-2-yloxane is sourced from PubChem (CID 71079301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).