N-butyl-N-fluorobutan-1-amine

C8H18FN — CID 14642706

IUPACN-butyl-N-fluorobutan-1-amine
SMILESCCCCN(F)CCCC
InChIInChI=1S/C8H18FN/c1-3-5-7-10(9)8-6-4-2/h3-8H2,1-2H3
InChIKeyDHTSROUAFKMQSJ-UHFFFAOYSA-N
MW147.24 g/mol
LogP2.77
Rot. Bonds6

About N-butyl-N-fluorobutan-1-amine

N-butyl-N-fluorobutan-1-amine (PubChem CID 14642706) has the molecular formula C8H18FN and a molecular weight of 147.24 g/mol. Its IUPAC name is N-butyl-N-fluorobutan-1-amine.

Molecular Properties

Compound NameN-butyl-N-fluorobutan-1-amine
PubChem CID14642706
Molecular FormulaC8H18FN
Molecular Weight147.24 g/mol
Exact Mass147.14
IUPAC NameN-butyl-N-fluorobutan-1-amine
SMILESCCCCN(F)CCCC
InChIInChI=1S/C8H18FN/c1-3-5-7-10(9)8-6-4-2/h3-8H2,1-2H3
InChIKeyDHTSROUAFKMQSJ-UHFFFAOYSA-N
XLogP2.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-fluorobutan-1-amine?
The IUPAC name of N-butyl-N-fluorobutan-1-amine (CID 14642706) is N-butyl-N-fluorobutan-1-amine.
What is the SMILES notation for N-butyl-N-fluorobutan-1-amine?
The canonical SMILES for N-butyl-N-fluorobutan-1-amine is CCCCN(F)CCCC.
What is the InChIKey of N-butyl-N-fluorobutan-1-amine?
The InChIKey is DHTSROUAFKMQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18FN/c1-3-5-7-10(9)8-6-4-2/h3-8H2,1-2H3.
What are the key properties of N-butyl-N-fluorobutan-1-amine?
N-butyl-N-fluorobutan-1-amine has a molecular weight of 147.24 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-fluorobutan-1-amine is sourced from PubChem (CID 14642706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).