5-(1,1-difluoropropyl)-2,3-dihydropyridin-2-amine

C8H12F2N2 — CID 91083380

IUPAC5-(1,1-difluoropropyl)-2,3-dihydropyridin-2-amine
SMILESCCC(F)(F)C1=CCC(N)N=C1
InChIInChI=1S/C8H12F2N2/c1-2-8(9,10)6-3-4-7(11)12-5-6/h3,5,7H,2,4,11H2,1H3
InChIKeyXWHNXDWNFJBZKI-UHFFFAOYSA-N
MW174.19 g/mol
LogP1.72
Rot. Bonds2

About 5-(1,1-difluoropropyl)-2,3-dihydropyridin-2-amine

5-(1,1-difluoropropyl)-2,3-dihydropyridin-2-amine (PubChem CID 91083380) has the molecular formula C8H12F2N2 and a molecular weight of 174.19 g/mol. Its IUPAC name is 5-(1,1-difluoropropyl)-2,3-dihydropyridin-2-amine.

Molecular Properties

Compound Name5-(1,1-difluoropropyl)-2,3-dihydropyridin-2-amine
PubChem CID91083380
Molecular FormulaC8H12F2N2
Molecular Weight174.19 g/mol
Exact Mass174.10
IUPAC Name5-(1,1-difluoropropyl)-2,3-dihydropyridin-2-amine
SMILESCCC(F)(F)C1=CCC(N)N=C1
InChIInChI=1S/C8H12F2N2/c1-2-8(9,10)6-3-4-7(11)12-5-6/h3,5,7H,2,4,11H2,1H3
InChIKeyXWHNXDWNFJBZKI-UHFFFAOYSA-N
XLogP1.72
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.19
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoropropyl)-2,3-dihydropyridin-2-amine?
The IUPAC name of 5-(1,1-difluoropropyl)-2,3-dihydropyridin-2-amine (CID 91083380) is 5-(1,1-difluoropropyl)-2,3-dihydropyridin-2-amine.
What is the SMILES notation for 5-(1,1-difluoropropyl)-2,3-dihydropyridin-2-amine?
The canonical SMILES for 5-(1,1-difluoropropyl)-2,3-dihydropyridin-2-amine is CCC(F)(F)C1=CCC(N)N=C1.
What is the InChIKey of 5-(1,1-difluoropropyl)-2,3-dihydropyridin-2-amine?
The InChIKey is XWHNXDWNFJBZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2/c1-2-8(9,10)6-3-4-7(11)12-5-6/h3,5,7H,2,4,11H2,1H3.
What are the key properties of 5-(1,1-difluoropropyl)-2,3-dihydropyridin-2-amine?
5-(1,1-difluoropropyl)-2,3-dihydropyridin-2-amine has a molecular weight of 174.19 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoropropyl)-2,3-dihydropyridin-2-amine is sourced from PubChem (CID 91083380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).