(4-iodophenyl)-(2,4,6-trifluorophenyl)methanamine

C13H9F3IN — CID 43124899

IUPAC(4-iodophenyl)-(2,4,6-trifluorophenyl)methanamine
SMILESNC(c1ccc(I)cc1)c1c(F)cc(F)cc1F
InChIInChI=1S/C13H9F3IN/c14-8-5-10(15)12(11(16)6-8)13(18)7-1-3-9(17)4-2-7/h1-6,13H,18H2
InChIKeyQMZHEMWGIDOSTJ-UHFFFAOYSA-N
MW363.12 g/mol
LogP3.76
Rot. Bonds2

About (4-iodophenyl)-(2,4,6-trifluorophenyl)methanamine

(4-iodophenyl)-(2,4,6-trifluorophenyl)methanamine (PubChem CID 43124899) has the molecular formula C13H9F3IN and a molecular weight of 363.12 g/mol. Its IUPAC name is (4-iodophenyl)-(2,4,6-trifluorophenyl)methanamine.

Molecular Properties

Compound Name(4-iodophenyl)-(2,4,6-trifluorophenyl)methanamine
PubChem CID43124899
Molecular FormulaC13H9F3IN
Molecular Weight363.12 g/mol
Exact Mass362.97
IUPAC Name(4-iodophenyl)-(2,4,6-trifluorophenyl)methanamine
SMILESNC(c1ccc(I)cc1)c1c(F)cc(F)cc1F
InChIInChI=1S/C13H9F3IN/c14-8-5-10(15)12(11(16)6-8)13(18)7-1-3-9(17)4-2-7/h1-6,13H,18H2
InChIKeyQMZHEMWGIDOSTJ-UHFFFAOYSA-N
XLogP3.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.12
LogP ≤ 53.76
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

(4-propan-2-ylphenyl)-(2,4,6-trifluorophenyl)methanamine
CID 43198710
phenyl-(2,4,6-trifluorophenyl)methanamine
CID 43198681
2-[bromo-(4-iodophenyl)methyl]-1,3,5-trifluorobenzene
CID 63438762
(4-butan-2-ylphenyl)-(2,4,6-trifluorophenyl)methanamine
CID 65101153
2,3-dihydro-1H-inden-5-yl-(2,4,6-trifluorophenyl)methanamine
CID 43198708
(2-iodophenyl)-(2,4,6-trifluorophenyl)methanamine
CID 43198713
(3-bromo-4-fluorophenyl)-(4-iodophenyl)methanamine
CID 79746840
[3-fluoro-4-(trifluoromethyl)phenyl]-(4-iodophenyl)methanamine
CID 107291498
(5-bromothiophen-3-yl)-(2,4,6-trifluorophenyl)methanamine
CID 107960534
(2,6-difluoro-4-methoxyphenyl)-(4-propan-2-ylphenyl)methanamine
CID 60964329
(3-bromo-5-methylphenyl)-(2,4,6-trifluorophenyl)methanamine
CID 104851108
quinolin-3-yl-(2,4,6-trifluorophenyl)methanamine
CID 115798580

Frequently Asked Questions

What is the IUPAC name of (4-iodophenyl)-(2,4,6-trifluorophenyl)methanamine?
The IUPAC name of (4-iodophenyl)-(2,4,6-trifluorophenyl)methanamine (CID 43124899) is (4-iodophenyl)-(2,4,6-trifluorophenyl)methanamine.
What is the SMILES notation for (4-iodophenyl)-(2,4,6-trifluorophenyl)methanamine?
The canonical SMILES for (4-iodophenyl)-(2,4,6-trifluorophenyl)methanamine is NC(c1ccc(I)cc1)c1c(F)cc(F)cc1F.
What is the InChIKey of (4-iodophenyl)-(2,4,6-trifluorophenyl)methanamine?
The InChIKey is QMZHEMWGIDOSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3IN/c14-8-5-10(15)12(11(16)6-8)13(18)7-1-3-9(17)4-2-7/h1-6,13H,18H2.
What are the key properties of (4-iodophenyl)-(2,4,6-trifluorophenyl)methanamine?
(4-iodophenyl)-(2,4,6-trifluorophenyl)methanamine has a molecular weight of 363.12 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-iodophenyl)-(2,4,6-trifluorophenyl)methanamine is sourced from PubChem (CID 43124899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).