(2R)-2,4-dimethyl-5-(trifluoromethyl)-2,3-dihydropyridine

C8H10F3N — CID 162620449

IUPAC(2R)-2,4-dimethyl-5-(trifluoromethyl)-2,3-dihydropyridine
SMILESCC1=C(C(F)(F)F)C=N[C@H](C)C1
InChIInChI=1S/C8H10F3N/c1-5-3-6(2)12-4-7(5)8(9,10)11/h4,6H,3H2,1-2H3/t6-/m1/s1
InChIKeyMFZSBPUWGYCMDV-ZCFIWIBFSA-N
MW177.17 g/mol
LogP2.73
Rot. Bonds

About (2R)-2,4-dimethyl-5-(trifluoromethyl)-2,3-dihydropyridine

(2R)-2,4-dimethyl-5-(trifluoromethyl)-2,3-dihydropyridine (PubChem CID 162620449) has the molecular formula C8H10F3N and a molecular weight of 177.17 g/mol. Its IUPAC name is (2R)-2,4-dimethyl-5-(trifluoromethyl)-2,3-dihydropyridine.

Molecular Properties

Compound Name(2R)-2,4-dimethyl-5-(trifluoromethyl)-2,3-dihydropyridine
PubChem CID162620449
Molecular FormulaC8H10F3N
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC Name(2R)-2,4-dimethyl-5-(trifluoromethyl)-2,3-dihydropyridine
SMILESCC1=C(C(F)(F)F)C=N[C@H](C)C1
InChIInChI=1S/C8H10F3N/c1-5-3-6(2)12-4-7(5)8(9,10)11/h4,6H,3H2,1-2H3/t6-/m1/s1
InChIKeyMFZSBPUWGYCMDV-ZCFIWIBFSA-N
XLogP2.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-2,4-dimethyl-5-(trifluoromethyl)-2,3-dihydropyridine?
The IUPAC name of (2R)-2,4-dimethyl-5-(trifluoromethyl)-2,3-dihydropyridine (CID 162620449) is (2R)-2,4-dimethyl-5-(trifluoromethyl)-2,3-dihydropyridine.
What is the SMILES notation for (2R)-2,4-dimethyl-5-(trifluoromethyl)-2,3-dihydropyridine?
The canonical SMILES for (2R)-2,4-dimethyl-5-(trifluoromethyl)-2,3-dihydropyridine is CC1=C(C(F)(F)F)C=N[C@H](C)C1.
What is the InChIKey of (2R)-2,4-dimethyl-5-(trifluoromethyl)-2,3-dihydropyridine?
The InChIKey is MFZSBPUWGYCMDV-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H10F3N/c1-5-3-6(2)12-4-7(5)8(9,10)11/h4,6H,3H2,1-2H3/t6-/m1/s1.
What are the key properties of (2R)-2,4-dimethyl-5-(trifluoromethyl)-2,3-dihydropyridine?
(2R)-2,4-dimethyl-5-(trifluoromethyl)-2,3-dihydropyridine has a molecular weight of 177.17 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,4-dimethyl-5-(trifluoromethyl)-2,3-dihydropyridine is sourced from PubChem (CID 162620449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).