chromium;1-pyrrol-1-id-2-yl-N-[4-(trifluoromethyl)phenyl]methanimine

C12H8CrF3N2- — CID 23578453

IUPACchromium;1-pyrrol-1-id-2-yl-N-[4-(trifluoromethyl)phenyl]methanimine
SMILESFC(F)(F)c1ccc(/N=C/c2ccc[n-]2)cc1.[Cr]
InChIInChI=1S/C12H8F3N2.Cr/c13-12(14,15)9-3-5-10(6-4-9)17-8-11-2-1-7-16-11;/h1-8H;/q-1;/b17-8+;
InChIKeyHONGZEUZNFXNFW-XIDBHWPPSA-N
MW289.20 g/mol
LogP3.41
Rot. Bonds2

About chromium;1-pyrrol-1-id-2-yl-N-[4-(trifluoromethyl)phenyl]methanimine

chromium;1-pyrrol-1-id-2-yl-N-[4-(trifluoromethyl)phenyl]methanimine (PubChem CID 23578453) has the molecular formula C12H8CrF3N2- and a molecular weight of 289.20 g/mol. Its IUPAC name is chromium;1-pyrrol-1-id-2-yl-N-[4-(trifluoromethyl)phenyl]methanimine.

Molecular Properties

Compound Namechromium;1-pyrrol-1-id-2-yl-N-[4-(trifluoromethyl)phenyl]methanimine
PubChem CID23578453
Molecular FormulaC12H8CrF3N2-
Molecular Weight289.20 g/mol
Exact Mass289.01
IUPAC Namechromium;1-pyrrol-1-id-2-yl-N-[4-(trifluoromethyl)phenyl]methanimine
SMILESFC(F)(F)c1ccc(/N=C/c2ccc[n-]2)cc1.[Cr]
InChIInChI=1S/C12H8F3N2.Cr/c13-12(14,15)9-3-5-10(6-4-9)17-8-11-2-1-7-16-11;/h1-8H;/q-1;/b17-8+;
InChIKeyHONGZEUZNFXNFW-XIDBHWPPSA-N
XLogP3.41
TPSA26.46 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.20
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

copper(1+);N-(4-methylphenyl)-1-pyrrol-1-id-2-ylmethanimine;bis(triphenylphosphane)
CID 171365143
dichlorotantalum;N-(2,3,4,5,6-pentafluorophenyl)-1-pyrrol-1-id-2-ylmethanimine
CID 23578234
N-(3,5-dichlorophenyl)-1-pyrrol-1-id-2-ylmethanimine;dichlorotitanium
CID 23380103
methyl N-[4-(trifluoromethyl)phenyl]methanimidate
CID 142914035
N-tert-butyl-1-pyrrol-1-id-2-ylmethanimine;dibromotitanium
CID 23578225
N-[4-(trifluoromethyl)phenyl]-2-[6-[2-[4-(trifluoromethyl)phenyl]iminoethyl]-2-pyridinyl]ethanimine
CID 139384645
1-[2-methyl-5-(trifluoromethyl)phenyl]-N-phenylmethanimine
CID 23340663
[4-[(4-methylphenyl)iminomethyl]phenyl] 4-(trifluoromethyl)benzoate
CID 102305246
1-methyl-4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]benzene
CID 59630308
N-(4-bromophenyl)-1-pyrrol-1-id-2-ylmethanimine;copper(1+);(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane
CID 171365133
5-(methoxymethyl)-4-[[4-(trifluoromethyl)phenyl]iminomethyl]-1,2-dihydropyrazol-3-one
CID 1487901
bis(dichlorotitanium);2-[(4-methoxyphenyl)iminomethyl]-6-phenylphenol;2-phenyl-6-[[4-(trifluoromethyl)phenyl]iminomethyl]phenol
CID 158695131

Frequently Asked Questions

What is the IUPAC name of chromium;1-pyrrol-1-id-2-yl-N-[4-(trifluoromethyl)phenyl]methanimine?
The IUPAC name of chromium;1-pyrrol-1-id-2-yl-N-[4-(trifluoromethyl)phenyl]methanimine (CID 23578453) is chromium;1-pyrrol-1-id-2-yl-N-[4-(trifluoromethyl)phenyl]methanimine.
What is the SMILES notation for chromium;1-pyrrol-1-id-2-yl-N-[4-(trifluoromethyl)phenyl]methanimine?
The canonical SMILES for chromium;1-pyrrol-1-id-2-yl-N-[4-(trifluoromethyl)phenyl]methanimine is FC(F)(F)c1ccc(/N=C/c2ccc[n-]2)cc1.[Cr].
What is the InChIKey of chromium;1-pyrrol-1-id-2-yl-N-[4-(trifluoromethyl)phenyl]methanimine?
The InChIKey is HONGZEUZNFXNFW-XIDBHWPPSA-N. The full InChI is InChI=1S/C12H8F3N2.Cr/c13-12(14,15)9-3-5-10(6-4-9)17-8-11-2-1-7-16-11;/h1-8H;/q-1;/b17-8+;.
What are the key properties of chromium;1-pyrrol-1-id-2-yl-N-[4-(trifluoromethyl)phenyl]methanimine?
chromium;1-pyrrol-1-id-2-yl-N-[4-(trifluoromethyl)phenyl]methanimine has a molecular weight of 289.20 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chromium;1-pyrrol-1-id-2-yl-N-[4-(trifluoromethyl)phenyl]methanimine is sourced from PubChem (CID 23578453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).