N-[2-(1,2-dihydropyridin-3-yl)-2,2-difluoroethyl]propan-1-amine

C10H16F2N2 — CID 162576795

IUPACN-[2-(1,2-dihydropyridin-3-yl)-2,2-difluoroethyl]propan-1-amine
SMILESCCCNCC(F)(F)C1=CC=CNC1
InChIInChI=1S/C10H16F2N2/c1-2-5-14-8-10(11,12)9-4-3-6-13-7-9/h3-4,6,13-14H,2,5,7-8H2,1H3
InChIKeyHHCRODZMOIFMFJ-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.66
Rot. Bonds5

About N-[2-(1,2-dihydropyridin-3-yl)-2,2-difluoroethyl]propan-1-amine

N-[2-(1,2-dihydropyridin-3-yl)-2,2-difluoroethyl]propan-1-amine (PubChem CID 162576795) has the molecular formula C10H16F2N2 and a molecular weight of 202.25 g/mol. Its IUPAC name is N-[2-(1,2-dihydropyridin-3-yl)-2,2-difluoroethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(1,2-dihydropyridin-3-yl)-2,2-difluoroethyl]propan-1-amine
PubChem CID162576795
Molecular FormulaC10H16F2N2
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC NameN-[2-(1,2-dihydropyridin-3-yl)-2,2-difluoroethyl]propan-1-amine
SMILESCCCNCC(F)(F)C1=CC=CNC1
InChIInChI=1S/C10H16F2N2/c1-2-5-14-8-10(11,12)9-4-3-6-13-7-9/h3-4,6,13-14H,2,5,7-8H2,1H3
InChIKeyHHCRODZMOIFMFJ-UHFFFAOYSA-N
XLogP1.66
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2-dihydropyridin-3-yl)-2,2-difluoroethyl]propan-1-amine?
The IUPAC name of N-[2-(1,2-dihydropyridin-3-yl)-2,2-difluoroethyl]propan-1-amine (CID 162576795) is N-[2-(1,2-dihydropyridin-3-yl)-2,2-difluoroethyl]propan-1-amine.
What is the SMILES notation for N-[2-(1,2-dihydropyridin-3-yl)-2,2-difluoroethyl]propan-1-amine?
The canonical SMILES for N-[2-(1,2-dihydropyridin-3-yl)-2,2-difluoroethyl]propan-1-amine is CCCNCC(F)(F)C1=CC=CNC1.
What is the InChIKey of N-[2-(1,2-dihydropyridin-3-yl)-2,2-difluoroethyl]propan-1-amine?
The InChIKey is HHCRODZMOIFMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2/c1-2-5-14-8-10(11,12)9-4-3-6-13-7-9/h3-4,6,13-14H,2,5,7-8H2,1H3.
What are the key properties of N-[2-(1,2-dihydropyridin-3-yl)-2,2-difluoroethyl]propan-1-amine?
N-[2-(1,2-dihydropyridin-3-yl)-2,2-difluoroethyl]propan-1-amine has a molecular weight of 202.25 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2-dihydropyridin-3-yl)-2,2-difluoroethyl]propan-1-amine is sourced from PubChem (CID 162576795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).