[2-(3,3-difluorobutyl)-2,3-dihydropyridin-5-yl]methanamine

C10H16F2N2 — CID 162566234

IUPAC[2-(3,3-difluorobutyl)-2,3-dihydropyridin-5-yl]methanamine
SMILESCC(F)(F)CCC1CC=C(CN)C=N1
InChIInChI=1S/C10H16F2N2/c1-10(11,12)5-4-9-3-2-8(6-13)7-14-9/h2,7,9H,3-6,13H2,1H3
InChIKeyGEGAGFLZMVSERX-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.15
Rot. Bonds4

About [2-(3,3-difluorobutyl)-2,3-dihydropyridin-5-yl]methanamine

[2-(3,3-difluorobutyl)-2,3-dihydropyridin-5-yl]methanamine (PubChem CID 162566234) has the molecular formula C10H16F2N2 and a molecular weight of 202.25 g/mol. Its IUPAC name is [2-(3,3-difluorobutyl)-2,3-dihydropyridin-5-yl]methanamine.

Molecular Properties

Compound Name[2-(3,3-difluorobutyl)-2,3-dihydropyridin-5-yl]methanamine
PubChem CID162566234
Molecular FormulaC10H16F2N2
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name[2-(3,3-difluorobutyl)-2,3-dihydropyridin-5-yl]methanamine
SMILESCC(F)(F)CCC1CC=C(CN)C=N1
InChIInChI=1S/C10H16F2N2/c1-10(11,12)5-4-9-3-2-8(6-13)7-14-9/h2,7,9H,3-6,13H2,1H3
InChIKeyGEGAGFLZMVSERX-UHFFFAOYSA-N
XLogP2.15
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(3,3-difluorobutyl)-2,3-dihydropyridin-5-yl]methanamine?
The IUPAC name of [2-(3,3-difluorobutyl)-2,3-dihydropyridin-5-yl]methanamine (CID 162566234) is [2-(3,3-difluorobutyl)-2,3-dihydropyridin-5-yl]methanamine.
What is the SMILES notation for [2-(3,3-difluorobutyl)-2,3-dihydropyridin-5-yl]methanamine?
The canonical SMILES for [2-(3,3-difluorobutyl)-2,3-dihydropyridin-5-yl]methanamine is CC(F)(F)CCC1CC=C(CN)C=N1.
What is the InChIKey of [2-(3,3-difluorobutyl)-2,3-dihydropyridin-5-yl]methanamine?
The InChIKey is GEGAGFLZMVSERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2/c1-10(11,12)5-4-9-3-2-8(6-13)7-14-9/h2,7,9H,3-6,13H2,1H3.
What are the key properties of [2-(3,3-difluorobutyl)-2,3-dihydropyridin-5-yl]methanamine?
[2-(3,3-difluorobutyl)-2,3-dihydropyridin-5-yl]methanamine has a molecular weight of 202.25 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,3-difluorobutyl)-2,3-dihydropyridin-5-yl]methanamine is sourced from PubChem (CID 162566234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).