1-[3-fluoro-4-(trifluoromethyl)phenyl]-1-(3-iodophenyl)-N-methylmethanamine

C15H12F4IN — CID 107291463

IUPAC1-[3-fluoro-4-(trifluoromethyl)phenyl]-1-(3-iodophenyl)-N-methylmethanamine
SMILESCNC(c1cccc(I)c1)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C15H12F4IN/c1-21-14(9-3-2-4-11(20)7-9)10-5-6-12(13(16)8-10)15(17,18)19/h2-8,14,21H,1H3
InChIKeyZVOQMKPRPBYJRB-UHFFFAOYSA-N
MW409.16 g/mol
LogP4.76
Rot. Bonds3

About 1-[3-fluoro-4-(trifluoromethyl)phenyl]-1-(3-iodophenyl)-N-methylmethanamine

1-[3-fluoro-4-(trifluoromethyl)phenyl]-1-(3-iodophenyl)-N-methylmethanamine (PubChem CID 107291463) has the molecular formula C15H12F4IN and a molecular weight of 409.16 g/mol. Its IUPAC name is 1-[3-fluoro-4-(trifluoromethyl)phenyl]-1-(3-iodophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-fluoro-4-(trifluoromethyl)phenyl]-1-(3-iodophenyl)-N-methylmethanamine
PubChem CID107291463
Molecular FormulaC15H12F4IN
Molecular Weight409.16 g/mol
Exact Mass409.00
IUPAC Name1-[3-fluoro-4-(trifluoromethyl)phenyl]-1-(3-iodophenyl)-N-methylmethanamine
SMILESCNC(c1cccc(I)c1)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C15H12F4IN/c1-21-14(9-3-2-4-11(20)7-9)10-5-6-12(13(16)8-10)15(17,18)19/h2-8,14,21H,1H3
InChIKeyZVOQMKPRPBYJRB-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.16
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-difluorophenyl)-1-(3-iodophenyl)-N-methylmethanamine
CID 43484544
1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-1-thiophen-3-ylmethanamine
CID 107288767
1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-1-thiophen-2-ylmethanamine
CID 107288722
1-(4-fluoro-3,5-dimethylphenyl)-1-(3-iodophenyl)-N-methylmethanamine
CID 65299098
1-(2-chloro-4,5-difluorophenyl)-1-(3-iodophenyl)-N-methylmethanamine
CID 107476154
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3-iodophenyl)-N-methylmethanamine
CID 43483287
1-(2,5-dimethylfuran-3-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 107291435
1-(1,5-dimethylpyrazol-4-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 107291427
[4-fluoro-3-(trifluoromethyl)phenyl]-(3-iodophenyl)methanamine
CID 107291836
1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 107291694
1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-1-(2H-triazol-4-yl)methanamine
CID 107289217
1-(2-bromofuran-3-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 107291665

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(trifluoromethyl)phenyl]-1-(3-iodophenyl)-N-methylmethanamine?
The IUPAC name of 1-[3-fluoro-4-(trifluoromethyl)phenyl]-1-(3-iodophenyl)-N-methylmethanamine (CID 107291463) is 1-[3-fluoro-4-(trifluoromethyl)phenyl]-1-(3-iodophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-[3-fluoro-4-(trifluoromethyl)phenyl]-1-(3-iodophenyl)-N-methylmethanamine?
The canonical SMILES for 1-[3-fluoro-4-(trifluoromethyl)phenyl]-1-(3-iodophenyl)-N-methylmethanamine is CNC(c1cccc(I)c1)c1ccc(C(F)(F)F)c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-(trifluoromethyl)phenyl]-1-(3-iodophenyl)-N-methylmethanamine?
The InChIKey is ZVOQMKPRPBYJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F4IN/c1-21-14(9-3-2-4-11(20)7-9)10-5-6-12(13(16)8-10)15(17,18)19/h2-8,14,21H,1H3.
What are the key properties of 1-[3-fluoro-4-(trifluoromethyl)phenyl]-1-(3-iodophenyl)-N-methylmethanamine?
1-[3-fluoro-4-(trifluoromethyl)phenyl]-1-(3-iodophenyl)-N-methylmethanamine has a molecular weight of 409.16 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(trifluoromethyl)phenyl]-1-(3-iodophenyl)-N-methylmethanamine is sourced from PubChem (CID 107291463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).