N-fluoro-N-propylbut-3-en-1-amine

C7H14FN — CID 139445228

IUPACN-fluoro-N-propylbut-3-en-1-amine
SMILESC=CCCN(F)CCC
InChIInChI=1S/C7H14FN/c1-3-5-7-9(8)6-4-2/h3H,1,4-7H2,2H3
InChIKeyYMZXPRLAMRZZKN-UHFFFAOYSA-N
MW131.19 g/mol
LogP2.16
Rot. Bonds5

About N-fluoro-N-propylbut-3-en-1-amine

N-fluoro-N-propylbut-3-en-1-amine (PubChem CID 139445228) has the molecular formula C7H14FN and a molecular weight of 131.19 g/mol. Its IUPAC name is N-fluoro-N-propylbut-3-en-1-amine.

Molecular Properties

Compound NameN-fluoro-N-propylbut-3-en-1-amine
PubChem CID139445228
Molecular FormulaC7H14FN
Molecular Weight131.19 g/mol
Exact Mass131.11
IUPAC NameN-fluoro-N-propylbut-3-en-1-amine
SMILESC=CCCN(F)CCC
InChIInChI=1S/C7H14FN/c1-3-5-7-9(8)6-4-2/h3H,1,4-7H2,2H3
InChIKeyYMZXPRLAMRZZKN-UHFFFAOYSA-N
XLogP2.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.19
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-fluoro-N-propylbut-3-en-1-amine?
The IUPAC name of N-fluoro-N-propylbut-3-en-1-amine (CID 139445228) is N-fluoro-N-propylbut-3-en-1-amine.
What is the SMILES notation for N-fluoro-N-propylbut-3-en-1-amine?
The canonical SMILES for N-fluoro-N-propylbut-3-en-1-amine is C=CCCN(F)CCC.
What is the InChIKey of N-fluoro-N-propylbut-3-en-1-amine?
The InChIKey is YMZXPRLAMRZZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FN/c1-3-5-7-9(8)6-4-2/h3H,1,4-7H2,2H3.
What are the key properties of N-fluoro-N-propylbut-3-en-1-amine?
N-fluoro-N-propylbut-3-en-1-amine has a molecular weight of 131.19 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-N-propylbut-3-en-1-amine is sourced from PubChem (CID 139445228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).