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

C10H18FN — CID 142154455

IUPAC1-(2-fluoropropyl)-2,4-dimethyl-3,6-dihydro-2H-pyridine
SMILESCC1=CCN(CC(C)F)C(C)C1
InChIInChI=1S/C10H18FN/c1-8-4-5-12(7-9(2)11)10(3)6-8/h4,9-10H,5-7H2,1-3H3
InChIKeyZNWSSNKCJDXADH-UHFFFAOYSA-N
MW171.26 g/mol
LogP2.38
Rot. Bonds2

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

1-(2-fluoropropyl)-2,4-dimethyl-3,6-dihydro-2H-pyridine (PubChem CID 142154455) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is 1-(2-fluoropropyl)-2,4-dimethyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(2-fluoropropyl)-2,4-dimethyl-3,6-dihydro-2H-pyridine
PubChem CID142154455
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name1-(2-fluoropropyl)-2,4-dimethyl-3,6-dihydro-2H-pyridine
SMILESCC1=CCN(CC(C)F)C(C)C1
InChIInChI=1S/C10H18FN/c1-8-4-5-12(7-9(2)11)10(3)6-8/h4,9-10H,5-7H2,1-3H3
InChIKeyZNWSSNKCJDXADH-UHFFFAOYSA-N
XLogP2.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.38
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

CID 657066
CID 657066
CID 657068
CID 657068
CID 641110
CID 641110
CID 57940
CID 57940
CID 23423765
CID 23423765
CID 23423766
CID 23423766
CID 177852195
CID 177852195
CID 69078269
CID 69078269
CID 88589110
CID 88589110
CID 91218244
CID 91218244
CID 117848997
CID 117848997
CID 117936380
CID 117936380

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoropropyl)-2,4-dimethyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(2-fluoropropyl)-2,4-dimethyl-3,6-dihydro-2H-pyridine (CID 142154455) is 1-(2-fluoropropyl)-2,4-dimethyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(2-fluoropropyl)-2,4-dimethyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(2-fluoropropyl)-2,4-dimethyl-3,6-dihydro-2H-pyridine is CC1=CCN(CC(C)F)C(C)C1.
What is the InChIKey of 1-(2-fluoropropyl)-2,4-dimethyl-3,6-dihydro-2H-pyridine?
The InChIKey is ZNWSSNKCJDXADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN/c1-8-4-5-12(7-9(2)11)10(3)6-8/h4,9-10H,5-7H2,1-3H3.
What are the key properties of 1-(2-fluoropropyl)-2,4-dimethyl-3,6-dihydro-2H-pyridine?
1-(2-fluoropropyl)-2,4-dimethyl-3,6-dihydro-2H-pyridine has a molecular weight of 171.26 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoropropyl)-2,4-dimethyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 142154455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).