(3-ethoxy-1,1,3-trifluoro-2-oxobutyl) hypofluorite

C6H8F4O3 — CID 58731893

IUPAC(3-ethoxy-1,1,3-trifluoro-2-oxobutyl) hypofluorite
SMILESCCOC(C)(F)C(=O)C(F)(F)OF
InChIInChI=1S/C6H8F4O3/c1-3-12-5(2,7)4(11)6(8,9)13-10/h3H2,1-2H3
InChIKeyOQMAKTWQTHQRLG-UHFFFAOYSA-N
MW204.12 g/mol
LogP1.77
Rot. Bonds5

About (3-ethoxy-1,1,3-trifluoro-2-oxobutyl) hypofluorite

(3-ethoxy-1,1,3-trifluoro-2-oxobutyl) hypofluorite (PubChem CID 58731893) has the molecular formula C6H8F4O3 and a molecular weight of 204.12 g/mol. Its IUPAC name is (3-ethoxy-1,1,3-trifluoro-2-oxobutyl) hypofluorite.

Molecular Properties

Compound Name(3-ethoxy-1,1,3-trifluoro-2-oxobutyl) hypofluorite
PubChem CID58731893
Molecular FormulaC6H8F4O3
Molecular Weight204.12 g/mol
Exact Mass204.04
IUPAC Name(3-ethoxy-1,1,3-trifluoro-2-oxobutyl) hypofluorite
SMILESCCOC(C)(F)C(=O)C(F)(F)OF
InChIInChI=1S/C6H8F4O3/c1-3-12-5(2,7)4(11)6(8,9)13-10/h3H2,1-2H3
InChIKeyOQMAKTWQTHQRLG-UHFFFAOYSA-N
XLogP1.77
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.12
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1,1-difluoro-2-oxopropyl) hypofluorite
CID 58420744
2-ethoxy-2-methylpropane
CID 12512
2-ethoxy-2-(113C)methyl(1,3-13C2)propane
CID 71308925
2-(1,2-13C2)ethoxy-2-(113C)methyl(1,2,3-13C3)propane
CID 71309473
ethyl 4-ethoxy-2,2-difluoro-4-methyl-3-oxohexanoate
CID 116774851
acetic acid;1,1,1-triethoxyethane
CID 90101940
2-ethoxy-2,3,3,3-tetrafluoropropanamide
CID 2802176
ethyl 2-fluoro-2-methylpentanoate
CID 157367290
1,1,1-trifluoro-3-hydroxy-3-methylpentan-2-one
CID 123438601
bis(2-ethoxypropan-2-yl) carbonate
CID 87247770
2,2-diethoxypentan-3-one
CID 163406008
2-ethoxy-2-fluorobutane
CID 89114459

Frequently Asked Questions

What is the IUPAC name of (3-ethoxy-1,1,3-trifluoro-2-oxobutyl) hypofluorite?
The IUPAC name of (3-ethoxy-1,1,3-trifluoro-2-oxobutyl) hypofluorite (CID 58731893) is (3-ethoxy-1,1,3-trifluoro-2-oxobutyl) hypofluorite.
What is the SMILES notation for (3-ethoxy-1,1,3-trifluoro-2-oxobutyl) hypofluorite?
The canonical SMILES for (3-ethoxy-1,1,3-trifluoro-2-oxobutyl) hypofluorite is CCOC(C)(F)C(=O)C(F)(F)OF.
What is the InChIKey of (3-ethoxy-1,1,3-trifluoro-2-oxobutyl) hypofluorite?
The InChIKey is OQMAKTWQTHQRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F4O3/c1-3-12-5(2,7)4(11)6(8,9)13-10/h3H2,1-2H3.
What are the key properties of (3-ethoxy-1,1,3-trifluoro-2-oxobutyl) hypofluorite?
(3-ethoxy-1,1,3-trifluoro-2-oxobutyl) hypofluorite has a molecular weight of 204.12 g/mol, XLogP of 1.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxy-1,1,3-trifluoro-2-oxobutyl) hypofluorite is sourced from PubChem (CID 58731893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).