1-[(1-fluorocyclopropyl)methyl]-3,5-dimethyl-3,6-dihydro-2H-pyridine

C11H18FN — CID 130634845

IUPAC1-[(1-fluorocyclopropyl)methyl]-3,5-dimethyl-3,6-dihydro-2H-pyridine
SMILESCC1=CC(C)CN(CC2(F)CC2)C1
InChIInChI=1S/C11H18FN/c1-9-5-10(2)7-13(6-9)8-11(12)3-4-11/h5,9H,3-4,6-8H2,1-2H3
InChIKeyDWSXIBRSMDDEAH-UHFFFAOYSA-N
MW183.27 g/mol
LogP2.39
Rot. Bonds2

About 1-[(1-fluorocyclopropyl)methyl]-3,5-dimethyl-3,6-dihydro-2H-pyridine

1-[(1-fluorocyclopropyl)methyl]-3,5-dimethyl-3,6-dihydro-2H-pyridine (PubChem CID 130634845) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is 1-[(1-fluorocyclopropyl)methyl]-3,5-dimethyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-[(1-fluorocyclopropyl)methyl]-3,5-dimethyl-3,6-dihydro-2H-pyridine
PubChem CID130634845
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC Name1-[(1-fluorocyclopropyl)methyl]-3,5-dimethyl-3,6-dihydro-2H-pyridine
SMILESCC1=CC(C)CN(CC2(F)CC2)C1
InChIInChI=1S/C11H18FN/c1-9-5-10(2)7-13(6-9)8-11(12)3-4-11/h5,9H,3-4,6-8H2,1-2H3
InChIKeyDWSXIBRSMDDEAH-UHFFFAOYSA-N
XLogP2.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 52.39
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

1,5-Diethyl-1,2,3,6-tetrahydropyridine
CID 641110
4-methyl-1-(3,3,3-trifluoropropyl)-3,6-dihydro-2H-pyridine
CID 69929361
4-methyl-1-[[1-(trifluoromethyl)cyclopropyl]methyl]-3,6-dihydro-2H-pyridine
CID 71114234
1-(2-fluoroethyl)-4-methyl-3,6-dihydro-2H-pyridine
CID 88589110
4-methyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
CID 89078466
3-fluoro-1,4-dimethyl-3,6-dihydro-2H-pyridine
CID 117936380
1-ethyl-3-fluoro-4-propan-2-yl-3,6-dihydro-2H-pyridine
CID 122642786
1-(2,2-difluoroethyl)-4-methyl-3,6-dihydro-2H-pyridine
CID 126994799
1-(2-fluorobutyl)-4-methyl-3,6-dihydro-2H-pyridine
CID 131199791
3-fluoro-1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine
CID 145646345
ethane;4-methyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
CID 156737198
1-methyl-5-propan-2-yl-3-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 174169056

Frequently Asked Questions

What is the IUPAC name of 1-[(1-fluorocyclopropyl)methyl]-3,5-dimethyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-[(1-fluorocyclopropyl)methyl]-3,5-dimethyl-3,6-dihydro-2H-pyridine (CID 130634845) is 1-[(1-fluorocyclopropyl)methyl]-3,5-dimethyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-[(1-fluorocyclopropyl)methyl]-3,5-dimethyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-[(1-fluorocyclopropyl)methyl]-3,5-dimethyl-3,6-dihydro-2H-pyridine is CC1=CC(C)CN(CC2(F)CC2)C1.
What is the InChIKey of 1-[(1-fluorocyclopropyl)methyl]-3,5-dimethyl-3,6-dihydro-2H-pyridine?
The InChIKey is DWSXIBRSMDDEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN/c1-9-5-10(2)7-13(6-9)8-11(12)3-4-11/h5,9H,3-4,6-8H2,1-2H3.
What are the key properties of 1-[(1-fluorocyclopropyl)methyl]-3,5-dimethyl-3,6-dihydro-2H-pyridine?
1-[(1-fluorocyclopropyl)methyl]-3,5-dimethyl-3,6-dihydro-2H-pyridine has a molecular weight of 183.27 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-fluorocyclopropyl)methyl]-3,5-dimethyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 130634845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).