N-[(Z)-[4-prop-1-en-2-yl-1-(2,2,2-trifluoroethyl)-2-pyridinylidene]methyl]methanimine

C12H13F3N2 — CID 167170311

IUPACN-[(Z)-[4-prop-1-en-2-yl-1-(2,2,2-trifluoroethyl)-2-pyridinylidene]methyl]methanimine
SMILESC=N/C=C1/C=C(C(=C)C)C=CN1CC(F)(F)F
InChIInChI=1S/C12H13F3N2/c1-9(2)10-4-5-17(8-12(13,14)15)11(6-10)7-16-3/h4-7H,1,3,8H2,2H3/b11-7-
InChIKeyHZZGMWRJPBTQMR-XFFZJAGNSA-N
MW242.24 g/mol
LogP3.42
Rot. Bonds3

About N-[(Z)-[4-prop-1-en-2-yl-1-(2,2,2-trifluoroethyl)-2-pyridinylidene]methyl]methanimine

N-[(Z)-[4-prop-1-en-2-yl-1-(2,2,2-trifluoroethyl)-2-pyridinylidene]methyl]methanimine (PubChem CID 167170311) has the molecular formula C12H13F3N2 and a molecular weight of 242.24 g/mol. Its IUPAC name is N-[(Z)-[4-prop-1-en-2-yl-1-(2,2,2-trifluoroethyl)-2-pyridinylidene]methyl]methanimine.

Molecular Properties

Compound NameN-[(Z)-[4-prop-1-en-2-yl-1-(2,2,2-trifluoroethyl)-2-pyridinylidene]methyl]methanimine
PubChem CID167170311
Molecular FormulaC12H13F3N2
Molecular Weight242.24 g/mol
Exact Mass242.10
IUPAC NameN-[(Z)-[4-prop-1-en-2-yl-1-(2,2,2-trifluoroethyl)-2-pyridinylidene]methyl]methanimine
SMILESC=N/C=C1/C=C(C(=C)C)C=CN1CC(F)(F)F
InChIInChI=1S/C12H13F3N2/c1-9(2)10-4-5-17(8-12(13,14)15)11(6-10)7-16-3/h4-7H,1,3,8H2,2H3/b11-7-
InChIKeyHZZGMWRJPBTQMR-XFFZJAGNSA-N
XLogP3.42
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[(Z)-[4-prop-1-en-2-yl-1-(2,2,2-trifluoroethyl)-2-pyridinylidene]methyl]methanimine with MolForge

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Related Compounds

2-Methylidene-1-(2-methylpropyl)-5-(trifluoromethyl)pyridine
CID 67473380
1-(Difluoromethyl)-2-methylidene-5-propan-2-ylpyridine
CID 117878111
1-Ethyl-2-methylidene-5-(trifluoromethyl)pyridine
CID 123548735
1,6-dimethyl-4-(trifluoromethyl)-2H-pyridine
CID 123633847
6-Ethyl-10-methyl-3-(trifluoromethyl)-8,9-dihydropyrido[1,2-a]azepine
CID 123877213
5-(difluoromethyl)-3-ethenyl-2-methylidene-1-[(E)-3-methylpent-2-en-2-yl]pyridine
CID 129083859
N-[(Z)-2-(3-fluoro-5-methyl-2H-pyridin-1-yl)ethenyl]methanimine
CID 134485393
1,6-dimethyl-4-[(E)-prop-1-enyl]-3-(trifluoromethyl)-2H-pyridine
CID 138509575
1,6-dimethyl-5-(trifluoromethyl)-2H-pyridine
CID 145272392
4-(Difluoromethyl)-1,5-dimethyl-2-methylidenepyridine
CID 145359778
(1S)-N-ethyl-N-methyl-2-(methylideneamino)-4-(trifluoromethyl)cyclohepta-2,4,6-trien-1-amine
CID 146359500
N-[3-(5-fluoro-2-methyl-2H-pyridin-1-yl)prop-1-enyl]methanimine
CID 146384044

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-prop-1-en-2-yl-1-(2,2,2-trifluoroethyl)-2-pyridinylidene]methyl]methanimine?
The IUPAC name of N-[(Z)-[4-prop-1-en-2-yl-1-(2,2,2-trifluoroethyl)-2-pyridinylidene]methyl]methanimine (CID 167170311) is N-[(Z)-[4-prop-1-en-2-yl-1-(2,2,2-trifluoroethyl)-2-pyridinylidene]methyl]methanimine.
What is the SMILES notation for N-[(Z)-[4-prop-1-en-2-yl-1-(2,2,2-trifluoroethyl)-2-pyridinylidene]methyl]methanimine?
The canonical SMILES for N-[(Z)-[4-prop-1-en-2-yl-1-(2,2,2-trifluoroethyl)-2-pyridinylidene]methyl]methanimine is C=N/C=C1/C=C(C(=C)C)C=CN1CC(F)(F)F.
What is the InChIKey of N-[(Z)-[4-prop-1-en-2-yl-1-(2,2,2-trifluoroethyl)-2-pyridinylidene]methyl]methanimine?
The InChIKey is HZZGMWRJPBTQMR-XFFZJAGNSA-N. The full InChI is InChI=1S/C12H13F3N2/c1-9(2)10-4-5-17(8-12(13,14)15)11(6-10)7-16-3/h4-7H,1,3,8H2,2H3/b11-7-.
What are the key properties of N-[(Z)-[4-prop-1-en-2-yl-1-(2,2,2-trifluoroethyl)-2-pyridinylidene]methyl]methanimine?
N-[(Z)-[4-prop-1-en-2-yl-1-(2,2,2-trifluoroethyl)-2-pyridinylidene]methyl]methanimine has a molecular weight of 242.24 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-prop-1-en-2-yl-1-(2,2,2-trifluoroethyl)-2-pyridinylidene]methyl]methanimine is sourced from PubChem (CID 167170311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).