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

C4H3F7O — CID 10176580

IUPAC2-[dideuterio(fluoro)methoxy]-1,1,1,3,3,3-hexafluoropropane
SMILES[2H]C([2H])(F)OC(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
InChIKeyDFEYYRMXOJXZRJ-DICFDUPASA-N
MW202.07 g/mol
LogP2.42
Rot. Bonds2

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

2-[dideuterio(fluoro)methoxy]-1,1,1,3,3,3-hexafluoropropane (PubChem CID 10176580) has the molecular formula C4H3F7O and a molecular weight of 202.07 g/mol. Its IUPAC name is 2-[dideuterio(fluoro)methoxy]-1,1,1,3,3,3-hexafluoropropane.

Molecular Properties

Compound Name2-[dideuterio(fluoro)methoxy]-1,1,1,3,3,3-hexafluoropropane
PubChem CID10176580
Molecular FormulaC4H3F7O
Molecular Weight202.07 g/mol
Exact Mass202.02
IUPAC Name2-[dideuterio(fluoro)methoxy]-1,1,1,3,3,3-hexafluoropropane
SMILES[2H]C([2H])(F)OC(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
InChIKeyDFEYYRMXOJXZRJ-DICFDUPASA-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 ≤ 500202.07
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Sevoflurane
CID 5206
Heptafluoropropyl 1,2,2,2-tetrafluoroethyl ether
CID 94258
Hexafluoroisopropyl methyl ether
CID 25749
3-(Difluoromethoxy)-1,1,2,2-tetrafluoropropane
CID 2737027
4-(Difluoromethoxy)-1,1,1,2,2,3,3-heptafluorobutane
CID 19063484
2-(Difluoromethoxy)-1,1,1-trifluoropropane
CID 22178549
Difluoromethyl 2,2,3,3,3-pentafluoropropyl ether
CID 92551
CID 205998
CID 205998
2-(1,1,2,2,2-Pentafluoroethyl)oxirane
CID 23089516
2a(Difluoromethoxy)a1,1,1,2,3,3ahexafluoropropane
CID 44582440
1-(Difluoromethoxy)-1,2,2,3,3-pentafluoropropane
CID 37027
1,1,1,2,3,3-Hexafluoro-3-(2,2,2-trifluoroethoxy)propane
CID 2775038

Frequently Asked Questions

What is the IUPAC name of 2-[dideuterio(fluoro)methoxy]-1,1,1,3,3,3-hexafluoropropane?
The IUPAC name of 2-[dideuterio(fluoro)methoxy]-1,1,1,3,3,3-hexafluoropropane (CID 10176580) is 2-[dideuterio(fluoro)methoxy]-1,1,1,3,3,3-hexafluoropropane.
What is the SMILES notation for 2-[dideuterio(fluoro)methoxy]-1,1,1,3,3,3-hexafluoropropane?
The canonical SMILES for 2-[dideuterio(fluoro)methoxy]-1,1,1,3,3,3-hexafluoropropane is [2H]C([2H])(F)OC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[dideuterio(fluoro)methoxy]-1,1,1,3,3,3-hexafluoropropane?
The InChIKey is DFEYYRMXOJXZRJ-DICFDUPASA-N. The full InChI is InChI=1S/C4H3F7O/c5-1-12-2(3(6,7)8)4(9,10)11/h2H,1H2/i1D2.
What are the key properties of 2-[dideuterio(fluoro)methoxy]-1,1,1,3,3,3-hexafluoropropane?
2-[dideuterio(fluoro)methoxy]-1,1,1,3,3,3-hexafluoropropane has a molecular weight of 202.07 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-[dideuterio(fluoro)methoxy]-1,1,1,3,3,3-hexafluoropropane is sourced from PubChem (CID 10176580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).