N,N-dibutyl-2,2,3,3,4,4,4-heptafluorobutanamide

C12H18F7NO — CID 617533

IUPACN,N-dibutyl-2,2,3,3,4,4,4-heptafluorobutanamide
SMILESCCCCN(CCCC)C(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H18F7NO/c1-3-5-7-20(8-6-4-2)9(21)10(13,14)11(15,16)12(17,18)19/h3-8H2,1-2H3
InChIKeySSLBWWFVNPTUPO-UHFFFAOYSA-N
MW325.27 g/mol
LogP4.25
Rot. Bonds8

About N,N-dibutyl-2,2,3,3,4,4,4-heptafluorobutanamide

N,N-dibutyl-2,2,3,3,4,4,4-heptafluorobutanamide (PubChem CID 617533) has the molecular formula C12H18F7NO and a molecular weight of 325.27 g/mol. Its IUPAC name is N,N-dibutyl-2,2,3,3,4,4,4-heptafluorobutanamide.

Molecular Properties

Compound NameN,N-dibutyl-2,2,3,3,4,4,4-heptafluorobutanamide
PubChem CID617533
Molecular FormulaC12H18F7NO
Molecular Weight325.27 g/mol
Exact Mass325.13
IUPAC NameN,N-dibutyl-2,2,3,3,4,4,4-heptafluorobutanamide
SMILESCCCCN(CCCC)C(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H18F7NO/c1-3-5-7-20(8-6-4-2)9(21)10(13,14)11(15,16)12(17,18)19/h3-8H2,1-2H3
InChIKeySSLBWWFVNPTUPO-UHFFFAOYSA-N
XLogP4.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.27
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-2,2,3,3,4,4,4-heptafluorobutanamide?
The IUPAC name of N,N-dibutyl-2,2,3,3,4,4,4-heptafluorobutanamide (CID 617533) is N,N-dibutyl-2,2,3,3,4,4,4-heptafluorobutanamide.
What is the SMILES notation for N,N-dibutyl-2,2,3,3,4,4,4-heptafluorobutanamide?
The canonical SMILES for N,N-dibutyl-2,2,3,3,4,4,4-heptafluorobutanamide is CCCCN(CCCC)C(=O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N,N-dibutyl-2,2,3,3,4,4,4-heptafluorobutanamide?
The InChIKey is SSLBWWFVNPTUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F7NO/c1-3-5-7-20(8-6-4-2)9(21)10(13,14)11(15,16)12(17,18)19/h3-8H2,1-2H3.
What are the key properties of N,N-dibutyl-2,2,3,3,4,4,4-heptafluorobutanamide?
N,N-dibutyl-2,2,3,3,4,4,4-heptafluorobutanamide has a molecular weight of 325.27 g/mol, XLogP of 4.25, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-2,2,3,3,4,4,4-heptafluorobutanamide is sourced from PubChem (CID 617533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).