2-propan-2-yl-5-(trifluoromethyl)-3,4-dihydropyridine

C9H12F3N — CID 145484033

IUPAC2-propan-2-yl-5-(trifluoromethyl)-3,4-dihydropyridine
SMILESCC(C)C1=NC=C(C(F)(F)F)CC1
InChIInChI=1S/C9H12F3N/c1-6(2)8-4-3-7(5-13-8)9(10,11)12/h5-6H,3-4H2,1-2H3
InChIKeyRNFWTPWMSUAIJO-UHFFFAOYSA-N
MW191.20 g/mol
LogP3.32
Rot. Bonds1

About 2-propan-2-yl-5-(trifluoromethyl)-3,4-dihydropyridine

2-propan-2-yl-5-(trifluoromethyl)-3,4-dihydropyridine (PubChem CID 145484033) has the molecular formula C9H12F3N and a molecular weight of 191.20 g/mol. Its IUPAC name is 2-propan-2-yl-5-(trifluoromethyl)-3,4-dihydropyridine.

Molecular Properties

Compound Name2-propan-2-yl-5-(trifluoromethyl)-3,4-dihydropyridine
PubChem CID145484033
Molecular FormulaC9H12F3N
Molecular Weight191.20 g/mol
Exact Mass191.09
IUPAC Name2-propan-2-yl-5-(trifluoromethyl)-3,4-dihydropyridine
SMILESCC(C)C1=NC=C(C(F)(F)F)CC1
InChIInChI=1S/C9H12F3N/c1-6(2)8-4-3-7(5-13-8)9(10,11)12/h5-6H,3-4H2,1-2H3
InChIKeyRNFWTPWMSUAIJO-UHFFFAOYSA-N
XLogP3.32
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-Methyl-2-(trifluoromethyl)-3,4-dihydropyridine
CID 68046822
2-Methyl-5-(trifluoromethyl)-3,4-dihydropyridine
CID 142966293
5-Fluoro-2-propan-2-yl-3,4-dihydropyridine
CID 145484234
2-cyclopropyl-4-(trifluoromethyl)-3H-pyrrole
CID 148554571
2,4-Dimethyl-5-(trifluoromethyl)-3,4-dihydropyridine
CID 148775053
2-(Difluoromethyl)-5-methyl-3,4-dihydropyridine
CID 156046916
2-Ethyl-5-fluoro-4-methyl-3,4-dihydropyridine
CID 156207077
5-Propan-2-yl-3-(trifluoromethyl)-3,4-dihydropyridine
CID 166850801
(E)-2-(difluoromethyl)-3-N,4-dimethyl-1-N-methylidenepent-1-ene-1,3-diimine
CID 169901549
2-(1-Fluoroethyl)-5-(2-methylpropyl)-3,4-dihydropyridine
CID 170274335
1,1-difluoro-5-methyl-4-methylidene-N-propan-2-ylhexan-2-imine
CID 174320388
1,1-difluoro-N,5-dimethyl-4-methylidenehexan-2-imine
CID 174320417

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-(trifluoromethyl)-3,4-dihydropyridine?
The IUPAC name of 2-propan-2-yl-5-(trifluoromethyl)-3,4-dihydropyridine (CID 145484033) is 2-propan-2-yl-5-(trifluoromethyl)-3,4-dihydropyridine.
What is the SMILES notation for 2-propan-2-yl-5-(trifluoromethyl)-3,4-dihydropyridine?
The canonical SMILES for 2-propan-2-yl-5-(trifluoromethyl)-3,4-dihydropyridine is CC(C)C1=NC=C(C(F)(F)F)CC1.
What is the InChIKey of 2-propan-2-yl-5-(trifluoromethyl)-3,4-dihydropyridine?
The InChIKey is RNFWTPWMSUAIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N/c1-6(2)8-4-3-7(5-13-8)9(10,11)12/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-propan-2-yl-5-(trifluoromethyl)-3,4-dihydropyridine?
2-propan-2-yl-5-(trifluoromethyl)-3,4-dihydropyridine has a molecular weight of 191.20 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-(trifluoromethyl)-3,4-dihydropyridine is sourced from PubChem (CID 145484033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).