1-(2,2-difluoroethyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine

C9H15F2N — CID 131084449

IUPAC1-(2,2-difluoroethyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine
SMILESCC1=C(C)CN(CC(F)F)CC1
InChIInChI=1S/C9H15F2N/c1-7-3-4-12(5-8(7)2)6-9(10)11/h9H,3-6H2,1-2H3
InChIKeyIDTPUIQEJVNHFU-UHFFFAOYSA-N
MW175.22 g/mol
LogP2.29
Rot. Bonds2

About 1-(2,2-difluoroethyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine

1-(2,2-difluoroethyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine (PubChem CID 131084449) has the molecular formula C9H15F2N and a molecular weight of 175.22 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine
PubChem CID131084449
Molecular FormulaC9H15F2N
Molecular Weight175.22 g/mol
Exact Mass175.12
IUPAC Name1-(2,2-difluoroethyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine
SMILESCC1=C(C)CN(CC(F)F)CC1
InChIInChI=1S/C9H15F2N/c1-7-3-4-12(5-8(7)2)6-9(10)11/h9H,3-6H2,1-2H3
InChIKeyIDTPUIQEJVNHFU-UHFFFAOYSA-N
XLogP2.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.22
LogP ≤ 52.29
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-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 20612496
4,5-difluoro-1-methyl-3,6-dihydro-2H-pyridine
CID 58799113
4-methyl-1-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 68099687
4-methyl-1-(3,3,3-trifluoropropyl)-3,6-dihydro-2H-pyridine
CID 69929361
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
5-fluoro-1,4-dimethyl-3,6-dihydro-2H-pyridine
CID 89224797
N-ethyl-4,4-difluoro-N,3-dimethylbut-3-en-1-amine
CID 89242977
(E)-N-ethyl-4-fluoro-N,3-dimethylpent-3-en-1-amine
CID 89243571
4-ethyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
CID 91452600
1-Methyl-3-(2,2,2-trifluoroethyl)-2,5-dihydropyrrole
CID 117205457
2-methyl-5-(2,2,2-trifluoroethyl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine
CID 118974407

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(2,2-difluoroethyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine (CID 131084449) is 1-(2,2-difluoroethyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(2,2-difluoroethyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine is CC1=C(C)CN(CC(F)F)CC1.
What is the InChIKey of 1-(2,2-difluoroethyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine?
The InChIKey is IDTPUIQEJVNHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N/c1-7-3-4-12(5-8(7)2)6-9(10)11/h9H,3-6H2,1-2H3.
What are the key properties of 1-(2,2-difluoroethyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine?
1-(2,2-difluoroethyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine has a molecular weight of 175.22 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 131084449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).