3,3-difluoro-4,5-dihydro-2H-pyridin-6-amine

C5H8F2N2 — CID 67592508

IUPAC3,3-difluoro-4,5-dihydro-2H-pyridin-6-amine
SMILESNC1=NCC(F)(F)CC1
InChIInChI=1S/C5H8F2N2/c6-5(7)2-1-4(8)9-3-5/h1-3H2,(H2,8,9)
InChIKeyCTXWKVCWAVYYFV-UHFFFAOYSA-N
MW134.13 g/mol
LogP0.77
Rot. Bonds

About 3,3-difluoro-4,5-dihydro-2H-pyridin-6-amine

3,3-difluoro-4,5-dihydro-2H-pyridin-6-amine (PubChem CID 67592508) has the molecular formula C5H8F2N2 and a molecular weight of 134.13 g/mol. Its IUPAC name is 3,3-difluoro-4,5-dihydro-2H-pyridin-6-amine.

Molecular Properties

Compound Name3,3-difluoro-4,5-dihydro-2H-pyridin-6-amine
PubChem CID67592508
Molecular FormulaC5H8F2N2
Molecular Weight134.13 g/mol
Exact Mass134.07
IUPAC Name3,3-difluoro-4,5-dihydro-2H-pyridin-6-amine
SMILESNC1=NCC(F)(F)CC1
InChIInChI=1S/C5H8F2N2/c6-5(7)2-1-4(8)9-3-5/h1-3H2,(H2,8,9)
InChIKeyCTXWKVCWAVYYFV-UHFFFAOYSA-N
XLogP0.77
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.13
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4,5-dihydro-2H-pyridin-6-amine?
The IUPAC name of 3,3-difluoro-4,5-dihydro-2H-pyridin-6-amine (CID 67592508) is 3,3-difluoro-4,5-dihydro-2H-pyridin-6-amine.
What is the SMILES notation for 3,3-difluoro-4,5-dihydro-2H-pyridin-6-amine?
The canonical SMILES for 3,3-difluoro-4,5-dihydro-2H-pyridin-6-amine is NC1=NCC(F)(F)CC1.
What is the InChIKey of 3,3-difluoro-4,5-dihydro-2H-pyridin-6-amine?
The InChIKey is CTXWKVCWAVYYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2N2/c6-5(7)2-1-4(8)9-3-5/h1-3H2,(H2,8,9).
What are the key properties of 3,3-difluoro-4,5-dihydro-2H-pyridin-6-amine?
3,3-difluoro-4,5-dihydro-2H-pyridin-6-amine has a molecular weight of 134.13 g/mol, XLogP of 0.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4,5-dihydro-2H-pyridin-6-amine is sourced from PubChem (CID 67592508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).