3-[difluoro(oxolan-2-yl)methoxy]-1,1,1,3,4,4,4-heptafluorobutan-2-one

C9H7F9O3 — CID 59741487

IUPAC3-[difluoro(oxolan-2-yl)methoxy]-1,1,1,3,4,4,4-heptafluorobutan-2-one
SMILESO=C(C(F)(F)F)C(F)(OC(F)(F)C1CCCO1)C(F)(F)F
InChIInChI=1S/C9H7F9O3/c10-6(9(16,17)18,5(19)7(11,12)13)21-8(14,15)4-2-1-3-20-4/h4H,1-3H2
InChIKeyQXEXCIUQQRVCBO-UHFFFAOYSA-N
MW334.13 g/mol
LogP3.13
Rot. Bonds4

About 3-[difluoro(oxolan-2-yl)methoxy]-1,1,1,3,4,4,4-heptafluorobutan-2-one

3-[difluoro(oxolan-2-yl)methoxy]-1,1,1,3,4,4,4-heptafluorobutan-2-one (PubChem CID 59741487) has the molecular formula C9H7F9O3 and a molecular weight of 334.13 g/mol. Its IUPAC name is 3-[difluoro(oxolan-2-yl)methoxy]-1,1,1,3,4,4,4-heptafluorobutan-2-one.

Molecular Properties

Compound Name3-[difluoro(oxolan-2-yl)methoxy]-1,1,1,3,4,4,4-heptafluorobutan-2-one
PubChem CID59741487
Molecular FormulaC9H7F9O3
Molecular Weight334.13 g/mol
Exact Mass334.03
IUPAC Name3-[difluoro(oxolan-2-yl)methoxy]-1,1,1,3,4,4,4-heptafluorobutan-2-one
SMILESO=C(C(F)(F)F)C(F)(OC(F)(F)C1CCCO1)C(F)(F)F
InChIInChI=1S/C9H7F9O3/c10-6(9(16,17)18,5(19)7(11,12)13)21-8(14,15)4-2-1-3-20-4/h4H,1-3H2
InChIKeyQXEXCIUQQRVCBO-UHFFFAOYSA-N
XLogP3.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.13
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[difluoro-[1,2,2,2-tetrafluoro-1-(fluoromethoxy)ethoxy]methyl]oxolane
CID 130284264
2,2-difluoro-2-[(2S)-oxolan-2-yl]acetic acid
CID 99640388
methanediol;2-(oxolan-2-yl)propan-2-yl 2,2,2-trifluoroacetate
CID 156747447
1,1,1,3,3,3-hexafluoro-2-(oxan-2-yl)propan-2-ol
CID 89068349
2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)oxolane
CID 19783535
2-methyl-2-[(2S)-oxolan-2-yl]propanoic acid
CID 129368356
1,1-difluoro-N,N-dimethyl-1-(oxolan-2-yl)methanamine
CID 57486602
oxolan-2-yl 3,3,3-trifluoro-2,2-dimethylpropanoate
CID 90142707
1,1,1-trifluoro-3-(oxolan-2-yl)propan-2-one
CID 62963522
N-ethyl-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)acetamide
CID 62727320
2,2,4,4-tetramethyl-3-(oxolan-2-yl)pentan-3-ol
CID 551403
2-[1,1,2-trifluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]ethyl]oxolane
CID 102446330

Frequently Asked Questions

What is the IUPAC name of 3-[difluoro(oxolan-2-yl)methoxy]-1,1,1,3,4,4,4-heptafluorobutan-2-one?
The IUPAC name of 3-[difluoro(oxolan-2-yl)methoxy]-1,1,1,3,4,4,4-heptafluorobutan-2-one (CID 59741487) is 3-[difluoro(oxolan-2-yl)methoxy]-1,1,1,3,4,4,4-heptafluorobutan-2-one.
What is the SMILES notation for 3-[difluoro(oxolan-2-yl)methoxy]-1,1,1,3,4,4,4-heptafluorobutan-2-one?
The canonical SMILES for 3-[difluoro(oxolan-2-yl)methoxy]-1,1,1,3,4,4,4-heptafluorobutan-2-one is O=C(C(F)(F)F)C(F)(OC(F)(F)C1CCCO1)C(F)(F)F.
What is the InChIKey of 3-[difluoro(oxolan-2-yl)methoxy]-1,1,1,3,4,4,4-heptafluorobutan-2-one?
The InChIKey is QXEXCIUQQRVCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F9O3/c10-6(9(16,17)18,5(19)7(11,12)13)21-8(14,15)4-2-1-3-20-4/h4H,1-3H2.
What are the key properties of 3-[difluoro(oxolan-2-yl)methoxy]-1,1,1,3,4,4,4-heptafluorobutan-2-one?
3-[difluoro(oxolan-2-yl)methoxy]-1,1,1,3,4,4,4-heptafluorobutan-2-one has a molecular weight of 334.13 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[difluoro(oxolan-2-yl)methoxy]-1,1,1,3,4,4,4-heptafluorobutan-2-one is sourced from PubChem (CID 59741487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).