1-[[1-(1,1-difluoroethyl)cyclopropyl]methyl]-4-methyl-3,6-dihydro-2H-pyridine

C12H19F2N — CID 118500396

IUPAC1-[[1-(1,1-difluoroethyl)cyclopropyl]methyl]-4-methyl-3,6-dihydro-2H-pyridine
SMILESCC1=CCN(CC2(C(C)(F)F)CC2)CC1
InChIInChI=1S/C12H19F2N/c1-10-3-7-15(8-4-10)9-12(5-6-12)11(2,13)14/h3H,4-9H2,1-2H3
InChIKeyRRYFUFJVMAKFHN-UHFFFAOYSA-N
MW215.29 g/mol
LogP3.07
Rot. Bonds3

About 1-[[1-(1,1-difluoroethyl)cyclopropyl]methyl]-4-methyl-3,6-dihydro-2H-pyridine

1-[[1-(1,1-difluoroethyl)cyclopropyl]methyl]-4-methyl-3,6-dihydro-2H-pyridine (PubChem CID 118500396) has the molecular formula C12H19F2N and a molecular weight of 215.29 g/mol. Its IUPAC name is 1-[[1-(1,1-difluoroethyl)cyclopropyl]methyl]-4-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-[[1-(1,1-difluoroethyl)cyclopropyl]methyl]-4-methyl-3,6-dihydro-2H-pyridine
PubChem CID118500396
Molecular FormulaC12H19F2N
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name1-[[1-(1,1-difluoroethyl)cyclopropyl]methyl]-4-methyl-3,6-dihydro-2H-pyridine
SMILESCC1=CCN(CC2(C(C)(F)F)CC2)CC1
InChIInChI=1S/C12H19F2N/c1-10-3-7-15(8-4-10)9-12(5-6-12)11(2,13)14/h3H,4-9H2,1-2H3
InChIKeyRRYFUFJVMAKFHN-UHFFFAOYSA-N
XLogP3.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-1-[[1-(trifluoromethyl)cyclopropyl]methyl]-3,6-dihydro-2H-pyridine
CID 71114234
ethane;4-methyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
CID 156737198
4-tert-butyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
CID 162475450
1-(2-Cyclopropylideneethyl)-4-(trifluoromethyl)piperidine
CID 166702388
1-methyl-5-propan-2-yl-3-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 174169056
5-propan-2-yl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
CID 176931960
4-Tert-butyl-1-ethyl-3,3-difluoro-2,6-dihydropyridine;ethane
CID 177353445
2-[1-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclopropyl]ethanamine
CID 113591611
2-ethyl-2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]butan-1-amine
CID 114490180
1-[(1-fluorocyclopropyl)methyl]-5-methyl-3,6-dihydro-2H-pyridine
CID 126995420
4-tert-butyl-1-(2-fluoroethyl)-3,6-dihydro-2H-pyridine
CID 130622205
5-fluoro-1-[(1-methylcyclopropyl)methyl]-3,6-dihydro-2H-pyridine
CID 130694412

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(1,1-difluoroethyl)cyclopropyl]methyl]-4-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-[[1-(1,1-difluoroethyl)cyclopropyl]methyl]-4-methyl-3,6-dihydro-2H-pyridine (CID 118500396) is 1-[[1-(1,1-difluoroethyl)cyclopropyl]methyl]-4-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-[[1-(1,1-difluoroethyl)cyclopropyl]methyl]-4-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-[[1-(1,1-difluoroethyl)cyclopropyl]methyl]-4-methyl-3,6-dihydro-2H-pyridine is CC1=CCN(CC2(C(C)(F)F)CC2)CC1.
What is the InChIKey of 1-[[1-(1,1-difluoroethyl)cyclopropyl]methyl]-4-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is RRYFUFJVMAKFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N/c1-10-3-7-15(8-4-10)9-12(5-6-12)11(2,13)14/h3H,4-9H2,1-2H3.
What are the key properties of 1-[[1-(1,1-difluoroethyl)cyclopropyl]methyl]-4-methyl-3,6-dihydro-2H-pyridine?
1-[[1-(1,1-difluoroethyl)cyclopropyl]methyl]-4-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 215.29 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(1,1-difluoroethyl)cyclopropyl]methyl]-4-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 118500396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).