1-prop-2-enyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine

C9H12F3N — CID 130608842

IUPAC1-prop-2-enyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
SMILESC=CCN1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C9H12F3N/c1-2-5-13-6-3-8(4-7-13)9(10,11)12/h2-3H,1,4-7H2
InChIKeyMRLMMLRZEWTYON-UHFFFAOYSA-N
MW191.20 g/mol
LogP2.37
Rot. Bonds2

About 1-prop-2-enyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine

1-prop-2-enyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine (PubChem CID 130608842) has the molecular formula C9H12F3N and a molecular weight of 191.20 g/mol. Its IUPAC name is 1-prop-2-enyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-prop-2-enyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
PubChem CID130608842
Molecular FormulaC9H12F3N
Molecular Weight191.20 g/mol
Exact Mass191.09
IUPAC Name1-prop-2-enyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
SMILESC=CCN1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C9H12F3N/c1-2-5-13-6-3-8(4-7-13)9(10,11)12/h2-3H,1,4-7H2
InChIKeyMRLMMLRZEWTYON-UHFFFAOYSA-N
XLogP2.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 52.37
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-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
3,3-Difluoro-1-methyl-2,6-dihydropyridine
CID 118595142
6,6,6-trifluoro-N,4-dimethyl-N-propylhex-3-en-1-amine
CID 123519237
1-(2,2-difluoroethyl)-4-methyl-3,6-dihydro-2H-pyridine
CID 126994799

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-prop-2-enyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine (CID 130608842) is 1-prop-2-enyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-prop-2-enyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-prop-2-enyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine is C=CCN1CC=C(C(F)(F)F)CC1.
What is the InChIKey of 1-prop-2-enyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
The InChIKey is MRLMMLRZEWTYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N/c1-2-5-13-6-3-8(4-7-13)9(10,11)12/h2-3H,1,4-7H2.
What are the key properties of 1-prop-2-enyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
1-prop-2-enyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine has a molecular weight of 191.20 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 130608842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).