N,N-dibutyl-1-fluorobutan-1-amine

C12H26FN — CID 24758913

IUPACN,N-dibutyl-1-fluorobutan-1-amine
SMILESCCCCN(CCCC)C(F)CCC
InChIInChI=1S/C12H26FN/c1-4-7-10-14(11-8-5-2)12(13)9-6-3/h12H,4-11H2,1-3H3
InChIKeyJSSGVEVGCLHHHB-UHFFFAOYSA-N
MW203.34 g/mol
LogP3.98
Rot. Bonds9

About N,N-dibutyl-1-fluorobutan-1-amine

N,N-dibutyl-1-fluorobutan-1-amine (PubChem CID 24758913) has the molecular formula C12H26FN and a molecular weight of 203.34 g/mol. Its IUPAC name is N,N-dibutyl-1-fluorobutan-1-amine.

Molecular Properties

Compound NameN,N-dibutyl-1-fluorobutan-1-amine
PubChem CID24758913
Molecular FormulaC12H26FN
Molecular Weight203.34 g/mol
Exact Mass203.20
IUPAC NameN,N-dibutyl-1-fluorobutan-1-amine
SMILESCCCCN(CCCC)C(F)CCC
InChIInChI=1S/C12H26FN/c1-4-7-10-14(11-8-5-2)12(13)9-6-3/h12H,4-11H2,1-3H3
InChIKeyJSSGVEVGCLHHHB-UHFFFAOYSA-N
XLogP3.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.34
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-1-fluorobutan-1-amine?
The IUPAC name of N,N-dibutyl-1-fluorobutan-1-amine (CID 24758913) is N,N-dibutyl-1-fluorobutan-1-amine.
What is the SMILES notation for N,N-dibutyl-1-fluorobutan-1-amine?
The canonical SMILES for N,N-dibutyl-1-fluorobutan-1-amine is CCCCN(CCCC)C(F)CCC.
What is the InChIKey of N,N-dibutyl-1-fluorobutan-1-amine?
The InChIKey is JSSGVEVGCLHHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26FN/c1-4-7-10-14(11-8-5-2)12(13)9-6-3/h12H,4-11H2,1-3H3.
What are the key properties of N,N-dibutyl-1-fluorobutan-1-amine?
N,N-dibutyl-1-fluorobutan-1-amine has a molecular weight of 203.34 g/mol, XLogP of 3.98, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-1-fluorobutan-1-amine is sourced from PubChem (CID 24758913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).