2-methyl-4-(2,2,2-trifluoroethoxy)-1,2-dihydropyridine

C8H10F3NO — CID 162557058

IUPAC2-methyl-4-(2,2,2-trifluoroethoxy)-1,2-dihydropyridine
SMILESCC1C=C(OCC(F)(F)F)C=CN1
InChIInChI=1S/C8H10F3NO/c1-6-4-7(2-3-12-6)13-5-8(9,10)11/h2-4,6,12H,5H2,1H3
InChIKeyIWZRQWZTTLMJQA-UHFFFAOYSA-N
MW193.17 g/mol
LogP1.95
Rot. Bonds2

About 2-methyl-4-(2,2,2-trifluoroethoxy)-1,2-dihydropyridine

2-methyl-4-(2,2,2-trifluoroethoxy)-1,2-dihydropyridine (PubChem CID 162557058) has the molecular formula C8H10F3NO and a molecular weight of 193.17 g/mol. Its IUPAC name is 2-methyl-4-(2,2,2-trifluoroethoxy)-1,2-dihydropyridine.

Molecular Properties

Compound Name2-methyl-4-(2,2,2-trifluoroethoxy)-1,2-dihydropyridine
PubChem CID162557058
Molecular FormulaC8H10F3NO
Molecular Weight193.17 g/mol
Exact Mass193.07
IUPAC Name2-methyl-4-(2,2,2-trifluoroethoxy)-1,2-dihydropyridine
SMILESCC1C=C(OCC(F)(F)F)C=CN1
InChIInChI=1S/C8H10F3NO/c1-6-4-7(2-3-12-6)13-5-8(9,10)11/h2-4,6,12H,5H2,1H3
InChIKeyIWZRQWZTTLMJQA-UHFFFAOYSA-N
XLogP1.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1,2-dimethyl-4-(trifluoromethoxy)-2H-pyridine
CID 59864809
6-Methyl-4-(1,1,1-trifluoropropan-2-yloxy)-1,2-dihydropyridine-2-carbonitrile
CID 68266845
(2S)-2-methoxy-2-(trifluoromethyl)-1H-pyridine
CID 69225666
5-Butoxy-2,6-bis(trifluoromethyl)-1,2-dihydropyridine
CID 122535752
1-[4-(2,2-Difluoropropoxy)-1,2-dihydropyridin-6-yl]ethanamine
CID 124095458
4-(difluoromethoxy)-N-methylcyclohexa-2,4-dien-1-amine
CID 134365782
5-(difluoromethoxy)-N-methylcyclohepta-1,4,6-trien-1-amine
CID 134365783
6-Methyl-4-(1,1,1-trifluoropropan-2-yloxy)-1,2-dihydropyridin-1-ium-2-carbonitrile
CID 143808984
4-(1,1,1-Trifluoropropan-2-yloxy)-1,2-dihydropyridine-2-carbonitrile
CID 143808999
2,4-Dimethyl-7-(2,2,2-trifluoroethoxy)-1,8a-dihydroquinoline
CID 145509850
1-[(2S)-5-(2,2-difluoroethoxy)-1,2-dihydropyridin-2-yl]ethanamine
CID 146537518
(1S)-1-[5-(2,2-difluoroethoxy)-1,2-dihydropyridin-2-yl]ethanamine
CID 146537712

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2,2,2-trifluoroethoxy)-1,2-dihydropyridine?
The IUPAC name of 2-methyl-4-(2,2,2-trifluoroethoxy)-1,2-dihydropyridine (CID 162557058) is 2-methyl-4-(2,2,2-trifluoroethoxy)-1,2-dihydropyridine.
What is the SMILES notation for 2-methyl-4-(2,2,2-trifluoroethoxy)-1,2-dihydropyridine?
The canonical SMILES for 2-methyl-4-(2,2,2-trifluoroethoxy)-1,2-dihydropyridine is CC1C=C(OCC(F)(F)F)C=CN1.
What is the InChIKey of 2-methyl-4-(2,2,2-trifluoroethoxy)-1,2-dihydropyridine?
The InChIKey is IWZRQWZTTLMJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO/c1-6-4-7(2-3-12-6)13-5-8(9,10)11/h2-4,6,12H,5H2,1H3.
What are the key properties of 2-methyl-4-(2,2,2-trifluoroethoxy)-1,2-dihydropyridine?
2-methyl-4-(2,2,2-trifluoroethoxy)-1,2-dihydropyridine has a molecular weight of 193.17 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2,2,2-trifluoroethoxy)-1,2-dihydropyridine is sourced from PubChem (CID 162557058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).