N,N,1,1,2,2,3-heptafluorobutan-1-amine

C4H4F7N — CID 140563438

IUPACN,N,1,1,2,2,3-heptafluorobutan-1-amine
SMILESCC(F)C(F)(F)C(F)(F)N(F)F
InChIInChI=1S/C4H4F7N/c1-2(5)3(6,7)4(8,9)12(10)11/h2H,1H3
InChIKeyFYSWPSCZDGXAIU-UHFFFAOYSA-N
MW199.07 g/mol
LogP2.64
Rot. Bonds3

About N,N,1,1,2,2,3-heptafluorobutan-1-amine

N,N,1,1,2,2,3-heptafluorobutan-1-amine (PubChem CID 140563438) has the molecular formula C4H4F7N and a molecular weight of 199.07 g/mol. Its IUPAC name is N,N,1,1,2,2,3-heptafluorobutan-1-amine.

Molecular Properties

Compound NameN,N,1,1,2,2,3-heptafluorobutan-1-amine
PubChem CID140563438
Molecular FormulaC4H4F7N
Molecular Weight199.07 g/mol
Exact Mass199.02
IUPAC NameN,N,1,1,2,2,3-heptafluorobutan-1-amine
SMILESCC(F)C(F)(F)C(F)(F)N(F)F
InChIInChI=1S/C4H4F7N/c1-2(5)3(6,7)4(8,9)12(10)11/h2H,1H3
InChIKeyFYSWPSCZDGXAIU-UHFFFAOYSA-N
XLogP2.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.07
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'N-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,N,1,1,2,2,3-heptafluorobutan-1-amine?
The IUPAC name of N,N,1,1,2,2,3-heptafluorobutan-1-amine (CID 140563438) is N,N,1,1,2,2,3-heptafluorobutan-1-amine.
What is the SMILES notation for N,N,1,1,2,2,3-heptafluorobutan-1-amine?
The canonical SMILES for N,N,1,1,2,2,3-heptafluorobutan-1-amine is CC(F)C(F)(F)C(F)(F)N(F)F.
What is the InChIKey of N,N,1,1,2,2,3-heptafluorobutan-1-amine?
The InChIKey is FYSWPSCZDGXAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F7N/c1-2(5)3(6,7)4(8,9)12(10)11/h2H,1H3.
What are the key properties of N,N,1,1,2,2,3-heptafluorobutan-1-amine?
N,N,1,1,2,2,3-heptafluorobutan-1-amine has a molecular weight of 199.07 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1,1,2,2,3-heptafluorobutan-1-amine is sourced from PubChem (CID 140563438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).