2-methyl-5-(3,3,3-trifluoroprop-1-en-2-yl)-3,4-dihydropyridine

C9H10F3N — CID 144809525

IUPAC2-methyl-5-(3,3,3-trifluoroprop-1-en-2-yl)-3,4-dihydropyridine
SMILESC=C(C1=CN=C(C)CC1)C(F)(F)F
InChIInChI=1S/C9H10F3N/c1-6-3-4-8(5-13-6)7(2)9(10,11)12/h5H,2-4H2,1H3
InChIKeyOKSZICDNHRULAQ-UHFFFAOYSA-N
MW189.18 g/mol
LogP3.24
Rot. Bonds1

About 2-methyl-5-(3,3,3-trifluoroprop-1-en-2-yl)-3,4-dihydropyridine

2-methyl-5-(3,3,3-trifluoroprop-1-en-2-yl)-3,4-dihydropyridine (PubChem CID 144809525) has the molecular formula C9H10F3N and a molecular weight of 189.18 g/mol. Its IUPAC name is 2-methyl-5-(3,3,3-trifluoroprop-1-en-2-yl)-3,4-dihydropyridine.

Molecular Properties

Compound Name2-methyl-5-(3,3,3-trifluoroprop-1-en-2-yl)-3,4-dihydropyridine
PubChem CID144809525
Molecular FormulaC9H10F3N
Molecular Weight189.18 g/mol
Exact Mass189.08
IUPAC Name2-methyl-5-(3,3,3-trifluoroprop-1-en-2-yl)-3,4-dihydropyridine
SMILESC=C(C1=CN=C(C)CC1)C(F)(F)F
InChIInChI=1S/C9H10F3N/c1-6-3-4-8(5-13-6)7(2)9(10,11)12/h5H,2-4H2,1H3
InChIKeyOKSZICDNHRULAQ-UHFFFAOYSA-N
XLogP3.24
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.18
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-Methyl-2-(trifluoromethyl)-3,4-dihydropyridine
CID 68046822
N-[(Z)-2-ethenylhept-1-enyl]-1,1,1-trifluorohexan-2-imine
CID 121405090
5-(1-Fluorobut-3-enyl)-2-methyl-3,4-dihydropyridine
CID 123876492
2-Methyl-5-(trifluoromethyl)-3,4-dihydropyridine
CID 142966293
1,1,1-trifluoro-N,5-dimethylhex-5-en-2-imine
CID 142966325
2-Propan-2-yl-5-(trifluoromethyl)-3,4-dihydropyridine
CID 145484033
2,4-Dimethyl-5-(trifluoromethyl)-3,4-dihydropyridine
CID 148775053
2-(Difluoromethyl)-5-methyl-3,4-dihydropyridine
CID 156046916
(E)-1,1-difluoro-2-N,5-dimethyl-4-methylidene-6-N-pentan-2-ylidenehex-5-ene-2,6-diimine
CID 174319468
5-Propan-2-yl-2-(trifluoromethyl)-3,4-dihydropyridine
CID 148760586
4-methyl-2-(trifluoromethyl)-3H-pyridine
CID 162540741
2-Ethyl-3-fluoro-5-(trifluoromethyl)-3,4-dihydropyridine
CID 162610262

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(3,3,3-trifluoroprop-1-en-2-yl)-3,4-dihydropyridine?
The IUPAC name of 2-methyl-5-(3,3,3-trifluoroprop-1-en-2-yl)-3,4-dihydropyridine (CID 144809525) is 2-methyl-5-(3,3,3-trifluoroprop-1-en-2-yl)-3,4-dihydropyridine.
What is the SMILES notation for 2-methyl-5-(3,3,3-trifluoroprop-1-en-2-yl)-3,4-dihydropyridine?
The canonical SMILES for 2-methyl-5-(3,3,3-trifluoroprop-1-en-2-yl)-3,4-dihydropyridine is C=C(C1=CN=C(C)CC1)C(F)(F)F.
What is the InChIKey of 2-methyl-5-(3,3,3-trifluoroprop-1-en-2-yl)-3,4-dihydropyridine?
The InChIKey is OKSZICDNHRULAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N/c1-6-3-4-8(5-13-6)7(2)9(10,11)12/h5H,2-4H2,1H3.
What are the key properties of 2-methyl-5-(3,3,3-trifluoroprop-1-en-2-yl)-3,4-dihydropyridine?
2-methyl-5-(3,3,3-trifluoroprop-1-en-2-yl)-3,4-dihydropyridine has a molecular weight of 189.18 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(3,3,3-trifluoroprop-1-en-2-yl)-3,4-dihydropyridine is sourced from PubChem (CID 144809525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).