1-(1,2-dihydropyridin-5-yl)-N-fluoro-N-methylmethanamine

C7H11FN2 — CID 166777582

IUPAC1-(1,2-dihydropyridin-5-yl)-N-fluoro-N-methylmethanamine
SMILESCN(F)CC1=CNCC=C1
InChIInChI=1S/C7H11FN2/c1-10(8)6-7-3-2-4-9-5-7/h2-3,5,9H,4,6H2,1H3
InChIKeySKAMUJODGRXNMI-UHFFFAOYSA-N
MW142.18 g/mol
LogP0.85
Rot. Bonds2

About 1-(1,2-dihydropyridin-5-yl)-N-fluoro-N-methylmethanamine

1-(1,2-dihydropyridin-5-yl)-N-fluoro-N-methylmethanamine (PubChem CID 166777582) has the molecular formula C7H11FN2 and a molecular weight of 142.18 g/mol. Its IUPAC name is 1-(1,2-dihydropyridin-5-yl)-N-fluoro-N-methylmethanamine.

Molecular Properties

Compound Name1-(1,2-dihydropyridin-5-yl)-N-fluoro-N-methylmethanamine
PubChem CID166777582
Molecular FormulaC7H11FN2
Molecular Weight142.18 g/mol
Exact Mass142.09
IUPAC Name1-(1,2-dihydropyridin-5-yl)-N-fluoro-N-methylmethanamine
SMILESCN(F)CC1=CNCC=C1
InChIInChI=1S/C7H11FN2/c1-10(8)6-7-3-2-4-9-5-7/h2-3,5,9H,4,6H2,1H3
InChIKeySKAMUJODGRXNMI-UHFFFAOYSA-N
XLogP0.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-(1,2-dihydropyridin-5-yl)-N-fluoro-N-methylmethanamine?
The IUPAC name of 1-(1,2-dihydropyridin-5-yl)-N-fluoro-N-methylmethanamine (CID 166777582) is 1-(1,2-dihydropyridin-5-yl)-N-fluoro-N-methylmethanamine.
What is the SMILES notation for 1-(1,2-dihydropyridin-5-yl)-N-fluoro-N-methylmethanamine?
The canonical SMILES for 1-(1,2-dihydropyridin-5-yl)-N-fluoro-N-methylmethanamine is CN(F)CC1=CNCC=C1.
What is the InChIKey of 1-(1,2-dihydropyridin-5-yl)-N-fluoro-N-methylmethanamine?
The InChIKey is SKAMUJODGRXNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2/c1-10(8)6-7-3-2-4-9-5-7/h2-3,5,9H,4,6H2,1H3.
What are the key properties of 1-(1,2-dihydropyridin-5-yl)-N-fluoro-N-methylmethanamine?
1-(1,2-dihydropyridin-5-yl)-N-fluoro-N-methylmethanamine has a molecular weight of 142.18 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dihydropyridin-5-yl)-N-fluoro-N-methylmethanamine is sourced from PubChem (CID 166777582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).