2-deuterio-2-[dideuterio(fluoro)methoxy]-1,1,1,3,3,3-hexafluoropropane

C4H3F7O — CID 18659309

IUPAC2-deuterio-2-[dideuterio(fluoro)methoxy]-1,1,1,3,3,3-hexafluoropropane
SMILES[2H]C([2H])(F)OC([2H])(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4H3F7O/c5-1-12-2(3(6,7)8)4(9,10)11/h2H,1H2/i1D2,2D
InChIKeyDFEYYRMXOJXZRJ-FUDHJZNOSA-N
MW203.07 g/mol
LogP2.42
Rot. Bonds2

About 2-deuterio-2-[dideuterio(fluoro)methoxy]-1,1,1,3,3,3-hexafluoropropane

2-deuterio-2-[dideuterio(fluoro)methoxy]-1,1,1,3,3,3-hexafluoropropane (PubChem CID 18659309) has the molecular formula C4H3F7O and a molecular weight of 203.07 g/mol. Its IUPAC name is 2-deuterio-2-[dideuterio(fluoro)methoxy]-1,1,1,3,3,3-hexafluoropropane.

Molecular Properties

Compound Name2-deuterio-2-[dideuterio(fluoro)methoxy]-1,1,1,3,3,3-hexafluoropropane
PubChem CID18659309
Molecular FormulaC4H3F7O
Molecular Weight203.07 g/mol
Exact Mass203.03
IUPAC Name2-deuterio-2-[dideuterio(fluoro)methoxy]-1,1,1,3,3,3-hexafluoropropane
SMILES[2H]C([2H])(F)OC([2H])(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4H3F7O/c5-1-12-2(3(6,7)8)4(9,10)11/h2H,1H2/i1D2,2D
InChIKeyDFEYYRMXOJXZRJ-FUDHJZNOSA-N
XLogP2.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.07
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-deuterio-2-[dideuterio(fluoro)methoxy]-1,1,1,3,3,3-hexafluoropropane?
The IUPAC name of 2-deuterio-2-[dideuterio(fluoro)methoxy]-1,1,1,3,3,3-hexafluoropropane (CID 18659309) is 2-deuterio-2-[dideuterio(fluoro)methoxy]-1,1,1,3,3,3-hexafluoropropane.
What is the SMILES notation for 2-deuterio-2-[dideuterio(fluoro)methoxy]-1,1,1,3,3,3-hexafluoropropane?
The canonical SMILES for 2-deuterio-2-[dideuterio(fluoro)methoxy]-1,1,1,3,3,3-hexafluoropropane is [2H]C([2H])(F)OC([2H])(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-deuterio-2-[dideuterio(fluoro)methoxy]-1,1,1,3,3,3-hexafluoropropane?
The InChIKey is DFEYYRMXOJXZRJ-FUDHJZNOSA-N. The full InChI is InChI=1S/C4H3F7O/c5-1-12-2(3(6,7)8)4(9,10)11/h2H,1H2/i1D2,2D.
What are the key properties of 2-deuterio-2-[dideuterio(fluoro)methoxy]-1,1,1,3,3,3-hexafluoropropane?
2-deuterio-2-[dideuterio(fluoro)methoxy]-1,1,1,3,3,3-hexafluoropropane has a molecular weight of 203.07 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuterio-2-[dideuterio(fluoro)methoxy]-1,1,1,3,3,3-hexafluoropropane is sourced from PubChem (CID 18659309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).