2-fluoro-4-(trifluoromethyl)benzaldehyde;2-[2-fluoro-4-(trifluoromethyl)phenyl]-1H-imidazole;methane

C20H18F8N2O — CID 163566910

IUPAC2-fluoro-4-(trifluoromethyl)benzaldehyde;2-[2-fluoro-4-(trifluoromethyl)phenyl]-1H-imidazole;methane
SMILESC.C.Fc1cc(C(F)(F)F)ccc1-c1ncc[nH]1.O=Cc1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C10H6F4N2.C8H4F4O.2CH4/c11-8-5-6(10(12,13)14)1-2-7(8)9-15-3-4-16-9;9-7-3-6(8(10,11)12)2-1-5(7)4-13;;/h1-5H,(H,15,16);1-4H;2*1H4
InChIKeyFVZJANMWNAVVPA-UHFFFAOYSA-N
MW454.36 g/mol
LogP7.16
Rot. Bonds2

About 2-fluoro-4-(trifluoromethyl)benzaldehyde;2-[2-fluoro-4-(trifluoromethyl)phenyl]-1H-imidazole;methane

2-fluoro-4-(trifluoromethyl)benzaldehyde;2-[2-fluoro-4-(trifluoromethyl)phenyl]-1H-imidazole;methane (PubChem CID 163566910) has the molecular formula C20H18F8N2O and a molecular weight of 454.36 g/mol. Its IUPAC name is 2-fluoro-4-(trifluoromethyl)benzaldehyde;2-[2-fluoro-4-(trifluoromethyl)phenyl]-1H-imidazole;methane.

Molecular Properties

Compound Name2-fluoro-4-(trifluoromethyl)benzaldehyde;2-[2-fluoro-4-(trifluoromethyl)phenyl]-1H-imidazole;methane
PubChem CID163566910
Molecular FormulaC20H18F8N2O
Molecular Weight454.36 g/mol
Exact Mass454.13
IUPAC Name2-fluoro-4-(trifluoromethyl)benzaldehyde;2-[2-fluoro-4-(trifluoromethyl)phenyl]-1H-imidazole;methane
SMILESC.C.Fc1cc(C(F)(F)F)ccc1-c1ncc[nH]1.O=Cc1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C10H6F4N2.C8H4F4O.2CH4/c11-8-5-6(10(12,13)14)1-2-7(8)9-15-3-4-16-9;9-7-3-6(8(10,11)12)2-1-5(7)4-13;;/h1-5H,(H,15,16);1-4H;2*1H4
InChIKeyFVZJANMWNAVVPA-UHFFFAOYSA-N
XLogP7.16
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.36
LogP ≤ 57.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-fluoro-4-(trifluoromethyl)phenyl]-1H-imidazole;2-[2-fluoro-4-(trifluoromethyl)phenyl]-1-methylimidazole
CID 162059449
2-fluoro-4-(1,1,2,2,2-pentafluoroethyl)benzaldehyde
CID 169111091
4-(trifluoromethyl)phthalaldehyde
CID 23496648
1-(dimethoxymethyl)-2-fluoro-4-(trifluoromethyl)benzene;2-fluoro-4-(trifluoromethyl)benzaldehyde
CID 158629586
2-methyl-4-(trifluoromethyl)benzaldehyde
CID 23340632
1-[2-[2-fluoro-4-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]-2-hydroxyethanone
CID 158420839
5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]benzaldehyde
CID 169095272
chloromethane;2-[2-fluoro-4-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid
CID 159313551
4-chloro-2-[2-methyl-4-(trifluoromethyl)phenyl]benzaldehyde
CID 102755539
2-(2-ethenyl-4-fluorophenyl)-1H-imidazole
CID 123208987
2-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazole
CID 70028778
2-fluoro-1-[(Z)-prop-1-enyl]-4-(trifluoromethyl)benzene
CID 156793075

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(trifluoromethyl)benzaldehyde;2-[2-fluoro-4-(trifluoromethyl)phenyl]-1H-imidazole;methane?
The IUPAC name of 2-fluoro-4-(trifluoromethyl)benzaldehyde;2-[2-fluoro-4-(trifluoromethyl)phenyl]-1H-imidazole;methane (CID 163566910) is 2-fluoro-4-(trifluoromethyl)benzaldehyde;2-[2-fluoro-4-(trifluoromethyl)phenyl]-1H-imidazole;methane.
What is the SMILES notation for 2-fluoro-4-(trifluoromethyl)benzaldehyde;2-[2-fluoro-4-(trifluoromethyl)phenyl]-1H-imidazole;methane?
The canonical SMILES for 2-fluoro-4-(trifluoromethyl)benzaldehyde;2-[2-fluoro-4-(trifluoromethyl)phenyl]-1H-imidazole;methane is C.C.Fc1cc(C(F)(F)F)ccc1-c1ncc[nH]1.O=Cc1ccc(C(F)(F)F)cc1F.
What is the InChIKey of 2-fluoro-4-(trifluoromethyl)benzaldehyde;2-[2-fluoro-4-(trifluoromethyl)phenyl]-1H-imidazole;methane?
The InChIKey is FVZJANMWNAVVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F4N2.C8H4F4O.2CH4/c11-8-5-6(10(12,13)14)1-2-7(8)9-15-3-4-16-9;9-7-3-6(8(10,11)12)2-1-5(7)4-13;;/h1-5H,(H,15,16);1-4H;2*1H4.
What are the key properties of 2-fluoro-4-(trifluoromethyl)benzaldehyde;2-[2-fluoro-4-(trifluoromethyl)phenyl]-1H-imidazole;methane?
2-fluoro-4-(trifluoromethyl)benzaldehyde;2-[2-fluoro-4-(trifluoromethyl)phenyl]-1H-imidazole;methane has a molecular weight of 454.36 g/mol, XLogP of 7.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(trifluoromethyl)benzaldehyde;2-[2-fluoro-4-(trifluoromethyl)phenyl]-1H-imidazole;methane is sourced from PubChem (CID 163566910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).