5-propan-2-yl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine

C10H16F3N — CID 176931960

IUPAC5-propan-2-yl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
SMILESCC(C)C1=CCCN(CC(F)(F)F)C1
InChIInChI=1S/C10H16F3N/c1-8(2)9-4-3-5-14(6-9)7-10(11,12)13/h4,8H,3,5-7H2,1-2H3
InChIKeyCAADCNSFVAGKHI-UHFFFAOYSA-N
MW207.24 g/mol
LogP2.84
Rot. Bonds2

About 5-propan-2-yl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine

5-propan-2-yl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine (PubChem CID 176931960) has the molecular formula C10H16F3N and a molecular weight of 207.24 g/mol. Its IUPAC name is 5-propan-2-yl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-propan-2-yl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
PubChem CID176931960
Molecular FormulaC10H16F3N
Molecular Weight207.24 g/mol
Exact Mass207.12
IUPAC Name5-propan-2-yl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
SMILESCC(C)C1=CCCN(CC(F)(F)F)C1
InChIInChI=1S/C10H16F3N/c1-8(2)9-4-3-5-14(6-9)7-10(11,12)13/h4,8H,3,5-7H2,1-2H3
InChIKeyCAADCNSFVAGKHI-UHFFFAOYSA-N
XLogP2.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-propan-2-yl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine (CID 176931960) is 5-propan-2-yl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-propan-2-yl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-propan-2-yl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine is CC(C)C1=CCCN(CC(F)(F)F)C1.
What is the InChIKey of 5-propan-2-yl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine?
The InChIKey is CAADCNSFVAGKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N/c1-8(2)9-4-3-5-14(6-9)7-10(11,12)13/h4,8H,3,5-7H2,1-2H3.
What are the key properties of 5-propan-2-yl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine?
5-propan-2-yl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine has a molecular weight of 207.24 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 176931960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).