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

C10H16F3N — CID 117205568

IUPAC1-propan-2-yl-5-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
SMILESCC(C)N1CCC=C(CC(F)(F)F)C1
InChIInChI=1S/C10H16F3N/c1-8(2)14-5-3-4-9(7-14)6-10(11,12)13/h4,8H,3,5-7H2,1-2H3
InChIKeyGHZMGWWOMPEPBH-UHFFFAOYSA-N
MW207.24 g/mol
LogP2.98
Rot. Bonds2

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

1-propan-2-yl-5-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine (PubChem CID 117205568) has the molecular formula C10H16F3N and a molecular weight of 207.24 g/mol. Its IUPAC name is 1-propan-2-yl-5-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-propan-2-yl-5-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
PubChem CID117205568
Molecular FormulaC10H16F3N
Molecular Weight207.24 g/mol
Exact Mass207.12
IUPAC Name1-propan-2-yl-5-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
SMILESCC(C)N1CCC=C(CC(F)(F)F)C1
InChIInChI=1S/C10H16F3N/c1-8(2)14-5-3-4-9(7-14)6-10(11,12)13/h4,8H,3,5-7H2,1-2H3
InChIKeyGHZMGWWOMPEPBH-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
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
Pyridine, 1,2,5,6-tetrahydro-1,2,4-trimethyl-
CID 23423765
(Z)-5-[bis(trifluoromethyl)boranyl]-N,N-diethyl-4-methylpent-3-en-2-amine
CID 134906534
1-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 20612496
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
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
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
3-fluoro-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine
CID 117848997

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-5-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-propan-2-yl-5-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine (CID 117205568) is 1-propan-2-yl-5-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-propan-2-yl-5-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-propan-2-yl-5-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine is CC(C)N1CCC=C(CC(F)(F)F)C1.
What is the InChIKey of 1-propan-2-yl-5-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine?
The InChIKey is GHZMGWWOMPEPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N/c1-8(2)14-5-3-4-9(7-14)6-10(11,12)13/h4,8H,3,5-7H2,1-2H3.
What are the key properties of 1-propan-2-yl-5-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine?
1-propan-2-yl-5-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine has a molecular weight of 207.24 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-5-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 117205568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).