[1,1,1,2,4,4,4-heptafluoro-3-[methyl(propyl)carbamoyl]butan-2-yl] hypofluorite

C9H11F8NO2 — CID 59913322

IUPAC[1,1,1,2,4,4,4-heptafluoro-3-[methyl(propyl)carbamoyl]butan-2-yl] hypofluorite
SMILESCCCN(C)C(=O)C(C(F)(F)F)C(F)(OF)C(F)(F)F
InChIInChI=1S/C9H11F8NO2/c1-3-4-18(2)6(19)5(8(11,12)13)7(10,20-17)9(14,15)16/h5H,3-4H2,1-2H3
InChIKeyBTCAKBAIPFFYRM-UHFFFAOYSA-N
MW317.18 g/mol
LogP3.16
Rot. Bonds5

About [1,1,1,2,4,4,4-heptafluoro-3-[methyl(propyl)carbamoyl]butan-2-yl] hypofluorite

[1,1,1,2,4,4,4-heptafluoro-3-[methyl(propyl)carbamoyl]butan-2-yl] hypofluorite (PubChem CID 59913322) has the molecular formula C9H11F8NO2 and a molecular weight of 317.18 g/mol. Its IUPAC name is [1,1,1,2,4,4,4-heptafluoro-3-[methyl(propyl)carbamoyl]butan-2-yl] hypofluorite.

Molecular Properties

Compound Name[1,1,1,2,4,4,4-heptafluoro-3-[methyl(propyl)carbamoyl]butan-2-yl] hypofluorite
PubChem CID59913322
Molecular FormulaC9H11F8NO2
Molecular Weight317.18 g/mol
Exact Mass317.07
IUPAC Name[1,1,1,2,4,4,4-heptafluoro-3-[methyl(propyl)carbamoyl]butan-2-yl] hypofluorite
SMILESCCCN(C)C(=O)C(C(F)(F)F)C(F)(OF)C(F)(F)F
InChIInChI=1S/C9H11F8NO2/c1-3-4-18(2)6(19)5(8(11,12)13)7(10,20-17)9(14,15)16/h5H,3-4H2,1-2H3
InChIKeyBTCAKBAIPFFYRM-UHFFFAOYSA-N
XLogP3.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.18
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1,1,1,2,4,4,4-heptafluoro-3-[methyl(propyl)carbamoyl]butan-2-yl] hypofluorite?
The IUPAC name of [1,1,1,2,4,4,4-heptafluoro-3-[methyl(propyl)carbamoyl]butan-2-yl] hypofluorite (CID 59913322) is [1,1,1,2,4,4,4-heptafluoro-3-[methyl(propyl)carbamoyl]butan-2-yl] hypofluorite.
What is the SMILES notation for [1,1,1,2,4,4,4-heptafluoro-3-[methyl(propyl)carbamoyl]butan-2-yl] hypofluorite?
The canonical SMILES for [1,1,1,2,4,4,4-heptafluoro-3-[methyl(propyl)carbamoyl]butan-2-yl] hypofluorite is CCCN(C)C(=O)C(C(F)(F)F)C(F)(OF)C(F)(F)F.
What is the InChIKey of [1,1,1,2,4,4,4-heptafluoro-3-[methyl(propyl)carbamoyl]butan-2-yl] hypofluorite?
The InChIKey is BTCAKBAIPFFYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F8NO2/c1-3-4-18(2)6(19)5(8(11,12)13)7(10,20-17)9(14,15)16/h5H,3-4H2,1-2H3.
What are the key properties of [1,1,1,2,4,4,4-heptafluoro-3-[methyl(propyl)carbamoyl]butan-2-yl] hypofluorite?
[1,1,1,2,4,4,4-heptafluoro-3-[methyl(propyl)carbamoyl]butan-2-yl] hypofluorite has a molecular weight of 317.18 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1,1,2,4,4,4-heptafluoro-3-[methyl(propyl)carbamoyl]butan-2-yl] hypofluorite is sourced from PubChem (CID 59913322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).