3-(3,4-dihydropyridin-3-yl)-3,3-difluoropropan-1-amine

C8H12F2N2 — CID 162599461

IUPAC3-(3,4-dihydropyridin-3-yl)-3,3-difluoropropan-1-amine
SMILESNCCC(F)(F)C1C=NC=CC1
InChIInChI=1S/C8H12F2N2/c9-8(10,3-4-11)7-2-1-5-12-6-7/h1,5-7H,2-4,11H2
InChIKeyCEFGHWBKFJLLCA-UHFFFAOYSA-N
MW174.19 g/mol
LogP1.57
Rot. Bonds3

About 3-(3,4-dihydropyridin-3-yl)-3,3-difluoropropan-1-amine

3-(3,4-dihydropyridin-3-yl)-3,3-difluoropropan-1-amine (PubChem CID 162599461) has the molecular formula C8H12F2N2 and a molecular weight of 174.19 g/mol. Its IUPAC name is 3-(3,4-dihydropyridin-3-yl)-3,3-difluoropropan-1-amine.

Molecular Properties

Compound Name3-(3,4-dihydropyridin-3-yl)-3,3-difluoropropan-1-amine
PubChem CID162599461
Molecular FormulaC8H12F2N2
Molecular Weight174.19 g/mol
Exact Mass174.10
IUPAC Name3-(3,4-dihydropyridin-3-yl)-3,3-difluoropropan-1-amine
SMILESNCCC(F)(F)C1C=NC=CC1
InChIInChI=1S/C8H12F2N2/c9-8(10,3-4-11)7-2-1-5-12-6-7/h1,5-7H,2-4,11H2
InChIKeyCEFGHWBKFJLLCA-UHFFFAOYSA-N
XLogP1.57
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.19
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,3-difluorobutan-2-yl)-3H-pyridine-3,4-diamine
CID 154277795
3,3-difluoro-3-(3-methyl-4H-pyridin-3-yl)propan-1-amine
CID 162580366
2-(3,4-Dihydropyridin-4-yl)ethanamine
CID 89018209

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydropyridin-3-yl)-3,3-difluoropropan-1-amine?
The IUPAC name of 3-(3,4-dihydropyridin-3-yl)-3,3-difluoropropan-1-amine (CID 162599461) is 3-(3,4-dihydropyridin-3-yl)-3,3-difluoropropan-1-amine.
What is the SMILES notation for 3-(3,4-dihydropyridin-3-yl)-3,3-difluoropropan-1-amine?
The canonical SMILES for 3-(3,4-dihydropyridin-3-yl)-3,3-difluoropropan-1-amine is NCCC(F)(F)C1C=NC=CC1.
What is the InChIKey of 3-(3,4-dihydropyridin-3-yl)-3,3-difluoropropan-1-amine?
The InChIKey is CEFGHWBKFJLLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2/c9-8(10,3-4-11)7-2-1-5-12-6-7/h1,5-7H,2-4,11H2.
What are the key properties of 3-(3,4-dihydropyridin-3-yl)-3,3-difluoropropan-1-amine?
3-(3,4-dihydropyridin-3-yl)-3,3-difluoropropan-1-amine has a molecular weight of 174.19 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydropyridin-3-yl)-3,3-difluoropropan-1-amine is sourced from PubChem (CID 162599461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).