N-fluoro-2-methyl-N-propylbut-3-en-1-amine

C8H16FN — CID 174177199

IUPACN-fluoro-2-methyl-N-propylbut-3-en-1-amine
SMILESC=CC(C)CN(F)CCC
InChIInChI=1S/C8H16FN/c1-4-6-10(9)7-8(3)5-2/h5,8H,2,4,6-7H2,1,3H3
InChIKeyQMHXZQPSYGQGSD-UHFFFAOYSA-N
MW145.22 g/mol
LogP2.40
Rot. Bonds5

About N-fluoro-2-methyl-N-propylbut-3-en-1-amine

N-fluoro-2-methyl-N-propylbut-3-en-1-amine (PubChem CID 174177199) has the molecular formula C8H16FN and a molecular weight of 145.22 g/mol. Its IUPAC name is N-fluoro-2-methyl-N-propylbut-3-en-1-amine.

Molecular Properties

Compound NameN-fluoro-2-methyl-N-propylbut-3-en-1-amine
PubChem CID174177199
Molecular FormulaC8H16FN
Molecular Weight145.22 g/mol
Exact Mass145.13
IUPAC NameN-fluoro-2-methyl-N-propylbut-3-en-1-amine
SMILESC=CC(C)CN(F)CCC
InChIInChI=1S/C8H16FN/c1-4-6-10(9)7-8(3)5-2/h5,8H,2,4,6-7H2,1,3H3
InChIKeyQMHXZQPSYGQGSD-UHFFFAOYSA-N
XLogP2.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.22
LogP ≤ 52.40
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-2-methyl-N-propylbut-3-en-1-amine?
The IUPAC name of N-fluoro-2-methyl-N-propylbut-3-en-1-amine (CID 174177199) is N-fluoro-2-methyl-N-propylbut-3-en-1-amine.
What is the SMILES notation for N-fluoro-2-methyl-N-propylbut-3-en-1-amine?
The canonical SMILES for N-fluoro-2-methyl-N-propylbut-3-en-1-amine is C=CC(C)CN(F)CCC.
What is the InChIKey of N-fluoro-2-methyl-N-propylbut-3-en-1-amine?
The InChIKey is QMHXZQPSYGQGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FN/c1-4-6-10(9)7-8(3)5-2/h5,8H,2,4,6-7H2,1,3H3.
What are the key properties of N-fluoro-2-methyl-N-propylbut-3-en-1-amine?
N-fluoro-2-methyl-N-propylbut-3-en-1-amine has a molecular weight of 145.22 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-2-methyl-N-propylbut-3-en-1-amine is sourced from PubChem (CID 174177199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).