N,N-bis(2,2,3,3,4,4,4-heptafluorobutyl)formamide

C9H5F14NO — CID 21250086

IUPACN,N-bis(2,2,3,3,4,4,4-heptafluorobutyl)formamide
SMILESO=CN(CC(F)(F)C(F)(F)C(F)(F)F)CC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H5F14NO/c10-4(11,6(14,15)8(18,19)20)1-24(3-25)2-5(12,13)7(16,17)9(21,22)23/h3H,1-2H2
InChIKeyXZQOITJKPLIZHR-UHFFFAOYSA-N
MW409.12 g/mol
LogP4.11
Rot. Bonds7

About N,N-bis(2,2,3,3,4,4,4-heptafluorobutyl)formamide

N,N-bis(2,2,3,3,4,4,4-heptafluorobutyl)formamide (PubChem CID 21250086) has the molecular formula C9H5F14NO and a molecular weight of 409.12 g/mol. Its IUPAC name is N,N-bis(2,2,3,3,4,4,4-heptafluorobutyl)formamide.

Molecular Properties

Compound NameN,N-bis(2,2,3,3,4,4,4-heptafluorobutyl)formamide
PubChem CID21250086
Molecular FormulaC9H5F14NO
Molecular Weight409.12 g/mol
Exact Mass409.01
IUPAC NameN,N-bis(2,2,3,3,4,4,4-heptafluorobutyl)formamide
SMILESO=CN(CC(F)(F)C(F)(F)C(F)(F)F)CC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H5F14NO/c10-4(11,6(14,15)8(18,19)20)1-24(3-25)2-5(12,13)7(16,17)9(21,22)23/h3H,1-2H2
InChIKeyXZQOITJKPLIZHR-UHFFFAOYSA-N
XLogP4.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.12
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2,2,3,3,4,4,4-heptafluorobutyl)formamide?
The IUPAC name of N,N-bis(2,2,3,3,4,4,4-heptafluorobutyl)formamide (CID 21250086) is N,N-bis(2,2,3,3,4,4,4-heptafluorobutyl)formamide.
What is the SMILES notation for N,N-bis(2,2,3,3,4,4,4-heptafluorobutyl)formamide?
The canonical SMILES for N,N-bis(2,2,3,3,4,4,4-heptafluorobutyl)formamide is O=CN(CC(F)(F)C(F)(F)C(F)(F)F)CC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N,N-bis(2,2,3,3,4,4,4-heptafluorobutyl)formamide?
The InChIKey is XZQOITJKPLIZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F14NO/c10-4(11,6(14,15)8(18,19)20)1-24(3-25)2-5(12,13)7(16,17)9(21,22)23/h3H,1-2H2.
What are the key properties of N,N-bis(2,2,3,3,4,4,4-heptafluorobutyl)formamide?
N,N-bis(2,2,3,3,4,4,4-heptafluorobutyl)formamide has a molecular weight of 409.12 g/mol, XLogP of 4.11, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2,2,3,3,4,4,4-heptafluorobutyl)formamide is sourced from PubChem (CID 21250086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).