1,5-dimethyl-2-(1,1,2-trifluoroethyl)-2H-pyridine

C9H12F3N — CID 134534340

IUPAC1,5-dimethyl-2-(1,1,2-trifluoroethyl)-2H-pyridine
SMILESCC1=CN(C)C(C(F)(F)CF)C=C1
InChIInChI=1S/C9H12F3N/c1-7-3-4-8(13(2)5-7)9(11,12)6-10/h3-5,8H,6H2,1-2H3
InChIKeyHCFFCFXOSOFWQX-UHFFFAOYSA-N
MW191.20 g/mol
LogP2.37
Rot. Bonds2

About 1,5-dimethyl-2-(1,1,2-trifluoroethyl)-2H-pyridine

1,5-dimethyl-2-(1,1,2-trifluoroethyl)-2H-pyridine (PubChem CID 134534340) has the molecular formula C9H12F3N and a molecular weight of 191.20 g/mol. Its IUPAC name is 1,5-dimethyl-2-(1,1,2-trifluoroethyl)-2H-pyridine.

Molecular Properties

Compound Name1,5-dimethyl-2-(1,1,2-trifluoroethyl)-2H-pyridine
PubChem CID134534340
Molecular FormulaC9H12F3N
Molecular Weight191.20 g/mol
Exact Mass191.09
IUPAC Name1,5-dimethyl-2-(1,1,2-trifluoroethyl)-2H-pyridine
SMILESCC1=CN(C)C(C(F)(F)CF)C=C1
InChIInChI=1S/C9H12F3N/c1-7-3-4-8(13(2)5-7)9(11,12)6-10/h3-5,8H,6H2,1-2H3
InChIKeyHCFFCFXOSOFWQX-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

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Related Compounds

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CID 69342103
2-Methylidene-1-(2-methylpropyl)-5-(trifluoromethyl)pyridine
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1-fluoro-N-(1,1,2,2,2-pentafluoroethyl)-N-propylcyclohexa-2,4-dien-1-amine
CID 87882835
1-(Difluoromethyl)-2-methylidene-5-propan-2-ylpyridine
CID 117878111
5-Tert-butyl-1-(difluoromethyl)-2-methylidenepyridine
CID 117878183
2-Chloro-1,2-dimethyl-5-(trifluoromethyl)pyridine
CID 118478764
2-Chloro-1-ethyl-2-methyl-5-(trifluoromethyl)pyridine
CID 118478765
2-ethyl-1,6-dimethyl-4-(trifluoromethyl)-2H-pyridine
CID 123161901
N-ethenyl-7-methyl-N-(2,2,2-trifluoroethyl)cyclohepta-1,3,6-trien-1-amine
CID 123191642
1-Ethyl-2-methylidene-5-(trifluoromethyl)pyridine
CID 123548735
7,9-difluoro-1-methyl-2H-quinolizine
CID 123865940
6-Ethyl-10-methyl-3-(trifluoromethyl)-8,9-dihydropyrido[1,2-a]azepine
CID 123877213

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2-(1,1,2-trifluoroethyl)-2H-pyridine?
The IUPAC name of 1,5-dimethyl-2-(1,1,2-trifluoroethyl)-2H-pyridine (CID 134534340) is 1,5-dimethyl-2-(1,1,2-trifluoroethyl)-2H-pyridine.
What is the SMILES notation for 1,5-dimethyl-2-(1,1,2-trifluoroethyl)-2H-pyridine?
The canonical SMILES for 1,5-dimethyl-2-(1,1,2-trifluoroethyl)-2H-pyridine is CC1=CN(C)C(C(F)(F)CF)C=C1.
What is the InChIKey of 1,5-dimethyl-2-(1,1,2-trifluoroethyl)-2H-pyridine?
The InChIKey is HCFFCFXOSOFWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N/c1-7-3-4-8(13(2)5-7)9(11,12)6-10/h3-5,8H,6H2,1-2H3.
What are the key properties of 1,5-dimethyl-2-(1,1,2-trifluoroethyl)-2H-pyridine?
1,5-dimethyl-2-(1,1,2-trifluoroethyl)-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 1,5-dimethyl-2-(1,1,2-trifluoroethyl)-2H-pyridine is sourced from PubChem (CID 134534340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).