1-propan-2-yl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine

C9H14F3N — CID 127668747

IUPAC1-propan-2-yl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
SMILESCC(C)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C9H14F3N/c1-7(2)13-5-3-8(4-6-13)9(10,11)12/h3,7H,4-6H2,1-2H3
InChIKeySVZFLGAURIHXQH-UHFFFAOYSA-N
MW193.21 g/mol
LogP2.59
Rot. Bonds1

About 1-propan-2-yl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine

1-propan-2-yl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine (PubChem CID 127668747) has the molecular formula C9H14F3N and a molecular weight of 193.21 g/mol. Its IUPAC name is 1-propan-2-yl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-propan-2-yl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
PubChem CID127668747
Molecular FormulaC9H14F3N
Molecular Weight193.21 g/mol
Exact Mass193.11
IUPAC Name1-propan-2-yl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
SMILESCC(C)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C9H14F3N/c1-7(2)13-5-3-8(4-6-13)9(10,11)12/h3,7H,4-6H2,1-2H3
InChIKeySVZFLGAURIHXQH-UHFFFAOYSA-N
XLogP2.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 52.59
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

Pyridine, 1,2,5,6-tetrahydro-1,2,4-trimethyl-
CID 23423765
Pyridine, 1,2,5,6-tetrahydro-1,4,6-trimethyl-
CID 23423766
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
2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]acetonitrile
CID 87995250
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-dimethyl-3,6-dihydro-2H-pyridine
CID 117936380
2-ethyl-1,6-dimethyl-4-(trifluoromethyl)-2H-pyridine
CID 123161901

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-propan-2-yl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine (CID 127668747) is 1-propan-2-yl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-propan-2-yl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-propan-2-yl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine is CC(C)N1CC=C(C(F)(F)F)CC1.
What is the InChIKey of 1-propan-2-yl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
The InChIKey is SVZFLGAURIHXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N/c1-7(2)13-5-3-8(4-6-13)9(10,11)12/h3,7H,4-6H2,1-2H3.
What are the key properties of 1-propan-2-yl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
1-propan-2-yl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine has a molecular weight of 193.21 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 127668747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).