1-[difluoro(2,3,3-trifluorobutan-2-yloxy)methoxy]-2-methylbutane

C10H17F5O2 — CID 21052207

IUPAC1-[difluoro(2,3,3-trifluorobutan-2-yloxy)methoxy]-2-methylbutane
SMILESCCC(C)COC(F)(F)OC(C)(F)C(C)(F)F
InChIInChI=1S/C10H17F5O2/c1-5-7(2)6-16-10(14,15)17-9(4,13)8(3,11)12/h7H,5-6H2,1-4H3
InChIKeyGQJWRAJMNFTXOH-UHFFFAOYSA-N
MW264.23 g/mol
LogP3.96
Rot. Bonds7

About 1-[difluoro(2,3,3-trifluorobutan-2-yloxy)methoxy]-2-methylbutane

1-[difluoro(2,3,3-trifluorobutan-2-yloxy)methoxy]-2-methylbutane (PubChem CID 21052207) has the molecular formula C10H17F5O2 and a molecular weight of 264.23 g/mol. Its IUPAC name is 1-[difluoro(2,3,3-trifluorobutan-2-yloxy)methoxy]-2-methylbutane.

Molecular Properties

Compound Name1-[difluoro(2,3,3-trifluorobutan-2-yloxy)methoxy]-2-methylbutane
PubChem CID21052207
Molecular FormulaC10H17F5O2
Molecular Weight264.23 g/mol
Exact Mass264.11
IUPAC Name1-[difluoro(2,3,3-trifluorobutan-2-yloxy)methoxy]-2-methylbutane
SMILESCCC(C)COC(F)(F)OC(C)(F)C(C)(F)F
InChIInChI=1S/C10H17F5O2/c1-5-7(2)6-16-10(14,15)17-9(4,13)8(3,11)12/h7H,5-6H2,1-4H3
InChIKeyGQJWRAJMNFTXOH-UHFFFAOYSA-N
XLogP3.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[difluoro(2,3,3-trifluorobutan-2-yloxy)methoxy]-2-methylbutane?
The IUPAC name of 1-[difluoro(2,3,3-trifluorobutan-2-yloxy)methoxy]-2-methylbutane (CID 21052207) is 1-[difluoro(2,3,3-trifluorobutan-2-yloxy)methoxy]-2-methylbutane.
What is the SMILES notation for 1-[difluoro(2,3,3-trifluorobutan-2-yloxy)methoxy]-2-methylbutane?
The canonical SMILES for 1-[difluoro(2,3,3-trifluorobutan-2-yloxy)methoxy]-2-methylbutane is CCC(C)COC(F)(F)OC(C)(F)C(C)(F)F.
What is the InChIKey of 1-[difluoro(2,3,3-trifluorobutan-2-yloxy)methoxy]-2-methylbutane?
The InChIKey is GQJWRAJMNFTXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F5O2/c1-5-7(2)6-16-10(14,15)17-9(4,13)8(3,11)12/h7H,5-6H2,1-4H3.
What are the key properties of 1-[difluoro(2,3,3-trifluorobutan-2-yloxy)methoxy]-2-methylbutane?
1-[difluoro(2,3,3-trifluorobutan-2-yloxy)methoxy]-2-methylbutane has a molecular weight of 264.23 g/mol, XLogP of 3.96, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[difluoro(2,3,3-trifluorobutan-2-yloxy)methoxy]-2-methylbutane is sourced from PubChem (CID 21052207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).