[3-fluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine

C12H11F4N3 — CID 129139635

IUPAC[3-fluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine
SMILESCn1cc(C(F)(F)F)nc1-c1ccc(CN)cc1F
InChIInChI=1S/C12H11F4N3/c1-19-6-10(12(14,15)16)18-11(19)8-3-2-7(5-17)4-9(8)13/h2-4,6H,5,17H2,1H3
InChIKeyVERBHEOBZBFQOY-UHFFFAOYSA-N
MW273.23 g/mol
LogP2.70
Rot. Bonds2

About [3-fluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine

[3-fluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine (PubChem CID 129139635) has the molecular formula C12H11F4N3 and a molecular weight of 273.23 g/mol. Its IUPAC name is [3-fluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine
PubChem CID129139635
Molecular FormulaC12H11F4N3
Molecular Weight273.23 g/mol
Exact Mass273.09
IUPAC Name[3-fluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine
SMILESCn1cc(C(F)(F)F)nc1-c1ccc(CN)cc1F
InChIInChI=1S/C12H11F4N3/c1-19-6-10(12(14,15)16)18-11(19)8-3-2-7(5-17)4-9(8)13/h2-4,6H,5,17H2,1H3
InChIKeyVERBHEOBZBFQOY-UHFFFAOYSA-N
XLogP2.70
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.23
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine?
The IUPAC name of [3-fluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine (CID 129139635) is [3-fluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine.
What is the SMILES notation for [3-fluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine?
The canonical SMILES for [3-fluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine is Cn1cc(C(F)(F)F)nc1-c1ccc(CN)cc1F.
What is the InChIKey of [3-fluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine?
The InChIKey is VERBHEOBZBFQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F4N3/c1-19-6-10(12(14,15)16)18-11(19)8-3-2-7(5-17)4-9(8)13/h2-4,6H,5,17H2,1H3.
What are the key properties of [3-fluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine?
[3-fluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine has a molecular weight of 273.23 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine is sourced from PubChem (CID 129139635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).