2,2-difluoro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine

C8H14F2N2 — CID 105436441

IUPAC2,2-difluoro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine
SMILESCN1CC=C(C(F)(F)CN)CC1
InChIInChI=1S/C8H14F2N2/c1-12-4-2-7(3-5-12)8(9,10)6-11/h2H,3-6,11H2,1H3
InChIKeyFNHUNDWDVVZQTD-UHFFFAOYSA-N
MW176.21 g/mol
LogP0.84
Rot. Bonds2

About 2,2-difluoro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine

2,2-difluoro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine (PubChem CID 105436441) has the molecular formula C8H14F2N2 and a molecular weight of 176.21 g/mol. Its IUPAC name is 2,2-difluoro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine.

Molecular Properties

Compound Name2,2-difluoro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine
PubChem CID105436441
Molecular FormulaC8H14F2N2
Molecular Weight176.21 g/mol
Exact Mass176.11
IUPAC Name2,2-difluoro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine
SMILESCN1CC=C(C(F)(F)CN)CC1
InChIInChI=1S/C8H14F2N2/c1-12-4-2-7(3-5-12)8(9,10)6-11/h2H,3-6,11H2,1H3
InChIKeyFNHUNDWDVVZQTD-UHFFFAOYSA-N
XLogP0.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1-Methyl-1,2,3,6-tetrahydropyridin-4-yl)ethan-1-amine
CID 71757538
4-methyl-1-(3,3,3-trifluoropropyl)-3,6-dihydro-2H-pyridine
CID 69929361
4-methyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
CID 89078466
4-ethyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
CID 91452600
1-(2,2-difluoroethyl)-4-methyl-3,6-dihydro-2H-pyridine
CID 126994799
1-methyl-4-(1,1,2,2,2-pentafluoroethyl)-3,6-dihydro-2H-pyridine
CID 141918871
1-[6-(1,1-difluoroethyl)cyclohexa-1,5-dien-1-yl]-N-methylmethanamine
CID 144396961
1-(2,2-Difluoroethyl)-5-methyl-2,3,4,7-tetrahydroazepine
CID 168224506
(E)-3-ethyl-N-(2,2,2-trifluoroethyl)pent-3-en-1-amine
CID 170259421
(E)-3-ethyl-N-(2,2,2-trifluoroethyl)hex-3-en-1-amine
CID 170260476
3,3-difluoro-4-propan-2-yl-2,6-dihydro-1H-pyridine
CID 172353948
4-ethyl-3,3-difluoro-2,6-dihydro-1H-pyridine;molecular hydrogen
CID 177147433

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine?
The IUPAC name of 2,2-difluoro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine (CID 105436441) is 2,2-difluoro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine.
What is the SMILES notation for 2,2-difluoro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine?
The canonical SMILES for 2,2-difluoro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine is CN1CC=C(C(F)(F)CN)CC1.
What is the InChIKey of 2,2-difluoro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine?
The InChIKey is FNHUNDWDVVZQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2/c1-12-4-2-7(3-5-12)8(9,10)6-11/h2H,3-6,11H2,1H3.
What are the key properties of 2,2-difluoro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine?
2,2-difluoro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine has a molecular weight of 176.21 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine is sourced from PubChem (CID 105436441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).