N-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)formamide

C5H2F9NO — CID 123563469

IUPACN-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)formamide
SMILESO=CNC(F)(C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H2F9NO/c6-2(7,4(9,10)11)3(8,15-1-16)5(12,13)14/h1H,(H,15,16)
InChIKeyJTOBOIPCTLWWBT-UHFFFAOYSA-N
MW263.06 g/mol
LogP2.16
Rot. Bonds3

About N-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)formamide

N-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)formamide (PubChem CID 123563469) has the molecular formula C5H2F9NO and a molecular weight of 263.06 g/mol. Its IUPAC name is N-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)formamide.

Molecular Properties

Compound NameN-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)formamide
PubChem CID123563469
Molecular FormulaC5H2F9NO
Molecular Weight263.06 g/mol
Exact Mass263.00
IUPAC NameN-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)formamide
SMILESO=CNC(F)(C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H2F9NO/c6-2(7,4(9,10)11)3(8,15-1-16)5(12,13)14/h1H,(H,15,16)
InChIKeyJTOBOIPCTLWWBT-UHFFFAOYSA-N
XLogP2.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.06
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)formamide?
The IUPAC name of N-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)formamide (CID 123563469) is N-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)formamide.
What is the SMILES notation for N-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)formamide?
The canonical SMILES for N-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)formamide is O=CNC(F)(C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)formamide?
The InChIKey is JTOBOIPCTLWWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F9NO/c6-2(7,4(9,10)11)3(8,15-1-16)5(12,13)14/h1H,(H,15,16).
What are the key properties of N-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)formamide?
N-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)formamide has a molecular weight of 263.06 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)formamide is sourced from PubChem (CID 123563469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).