1-(1,2-difluoroprop-2-enyl)-3,6-dihydro-2H-pyridine

C8H11F2N — CID 145335485

IUPAC1-(1,2-difluoroprop-2-enyl)-3,6-dihydro-2H-pyridine
SMILESC=C(F)C(F)N1CC=CCC1
InChIInChI=1S/C8H11F2N/c1-7(9)8(10)11-5-3-2-4-6-11/h2-3,8H,1,4-6H2
InChIKeySCYXVOBDQRDINF-UHFFFAOYSA-N
MW159.18 g/mol
LogP2.03
Rot. Bonds2

About 1-(1,2-difluoroprop-2-enyl)-3,6-dihydro-2H-pyridine

1-(1,2-difluoroprop-2-enyl)-3,6-dihydro-2H-pyridine (PubChem CID 145335485) has the molecular formula C8H11F2N and a molecular weight of 159.18 g/mol. Its IUPAC name is 1-(1,2-difluoroprop-2-enyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(1,2-difluoroprop-2-enyl)-3,6-dihydro-2H-pyridine
PubChem CID145335485
Molecular FormulaC8H11F2N
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name1-(1,2-difluoroprop-2-enyl)-3,6-dihydro-2H-pyridine
SMILESC=C(F)C(F)N1CC=CCC1
InChIInChI=1S/C8H11F2N/c1-7(9)8(10)11-5-3-2-4-6-11/h2-3,8H,1,4-6H2
InChIKeySCYXVOBDQRDINF-UHFFFAOYSA-N
XLogP2.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-difluoroprop-2-enyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(1,2-difluoroprop-2-enyl)-3,6-dihydro-2H-pyridine (CID 145335485) is 1-(1,2-difluoroprop-2-enyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(1,2-difluoroprop-2-enyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(1,2-difluoroprop-2-enyl)-3,6-dihydro-2H-pyridine is C=C(F)C(F)N1CC=CCC1.
What is the InChIKey of 1-(1,2-difluoroprop-2-enyl)-3,6-dihydro-2H-pyridine?
The InChIKey is SCYXVOBDQRDINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N/c1-7(9)8(10)11-5-3-2-4-6-11/h2-3,8H,1,4-6H2.
What are the key properties of 1-(1,2-difluoroprop-2-enyl)-3,6-dihydro-2H-pyridine?
1-(1,2-difluoroprop-2-enyl)-3,6-dihydro-2H-pyridine has a molecular weight of 159.18 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-difluoroprop-2-enyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 145335485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).