1,1,1-trifluorobutan-2-yl hypofluorite

C4H6F4O — CID 150438318

IUPAC1,1,1-trifluorobutan-2-yl hypofluorite
SMILESCCC(OF)C(F)(F)F
InChIInChI=1S/C4H6F4O/c1-2-3(9-8)4(5,6)7/h3H,2H2,1H3
InChIKeyHLFWEZRGOIEVLU-UHFFFAOYSA-N
MW146.08 g/mol
LogP2.23
Rot. Bonds2

About 1,1,1-trifluorobutan-2-yl hypofluorite

1,1,1-trifluorobutan-2-yl hypofluorite (PubChem CID 150438318) has the molecular formula C4H6F4O and a molecular weight of 146.08 g/mol. Its IUPAC name is 1,1,1-trifluorobutan-2-yl hypofluorite.

Molecular Properties

Compound Name1,1,1-trifluorobutan-2-yl hypofluorite
PubChem CID150438318
Molecular FormulaC4H6F4O
Molecular Weight146.08 g/mol
Exact Mass146.04
IUPAC Name1,1,1-trifluorobutan-2-yl hypofluorite
SMILESCCC(OF)C(F)(F)F
InChIInChI=1S/C4H6F4O/c1-2-3(9-8)4(5,6)7/h3H,2H2,1H3
InChIKeyHLFWEZRGOIEVLU-UHFFFAOYSA-N
XLogP2.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.08
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Hexafluoroisopropyl methyl ether
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2-Ethoxy-1,1,1,2,3,3,3-heptafluoropropane
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1,1,1,2,2-Pentafluoro-3-methoxypropane
CID 2776015
1,1,1,3,3,3-Hexafluoro-2-propaneolate
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2-(Difluoromethoxy)-1,1,1,3,3,3-hexafluoropropane
CID 10932890
Methyl 3H-perfluoroisopropyl ether
CID 13332851
2-(Trifluoromethoxy)propane
CID 21068678
1,1,1-Trifluoro-2-methoxy-propane
CID 22022770
Ethoxyhex a-fluorobutane
CID 53855163

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluorobutan-2-yl hypofluorite?
The IUPAC name of 1,1,1-trifluorobutan-2-yl hypofluorite (CID 150438318) is 1,1,1-trifluorobutan-2-yl hypofluorite.
What is the SMILES notation for 1,1,1-trifluorobutan-2-yl hypofluorite?
The canonical SMILES for 1,1,1-trifluorobutan-2-yl hypofluorite is CCC(OF)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluorobutan-2-yl hypofluorite?
The InChIKey is HLFWEZRGOIEVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F4O/c1-2-3(9-8)4(5,6)7/h3H,2H2,1H3.
What are the key properties of 1,1,1-trifluorobutan-2-yl hypofluorite?
1,1,1-trifluorobutan-2-yl hypofluorite has a molecular weight of 146.08 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluorobutan-2-yl hypofluorite is sourced from PubChem (CID 150438318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).