(4-fluoro-2-iodophenyl)-(3-fluoro-5-methylphenyl)methanamine

C14H12F2IN — CID 114030220

IUPAC(4-fluoro-2-iodophenyl)-(3-fluoro-5-methylphenyl)methanamine
SMILESCc1cc(F)cc(C(N)c2ccc(F)cc2I)c1
InChIInChI=1S/C14H12F2IN/c1-8-4-9(6-11(16)5-8)14(18)12-3-2-10(15)7-13(12)17/h2-7,14H,18H2,1H3
InChIKeyIUOTVRGRXBLHQX-UHFFFAOYSA-N
MW359.16 g/mol
LogP3.93
Rot. Bonds2

About (4-fluoro-2-iodophenyl)-(3-fluoro-5-methylphenyl)methanamine

(4-fluoro-2-iodophenyl)-(3-fluoro-5-methylphenyl)methanamine (PubChem CID 114030220) has the molecular formula C14H12F2IN and a molecular weight of 359.16 g/mol. Its IUPAC name is (4-fluoro-2-iodophenyl)-(3-fluoro-5-methylphenyl)methanamine.

Molecular Properties

Compound Name(4-fluoro-2-iodophenyl)-(3-fluoro-5-methylphenyl)methanamine
PubChem CID114030220
Molecular FormulaC14H12F2IN
Molecular Weight359.16 g/mol
Exact Mass359.00
IUPAC Name(4-fluoro-2-iodophenyl)-(3-fluoro-5-methylphenyl)methanamine
SMILESCc1cc(F)cc(C(N)c2ccc(F)cc2I)c1
InChIInChI=1S/C14H12F2IN/c1-8-4-9(6-11(16)5-8)14(18)12-3-2-10(15)7-13(12)17/h2-7,14H,18H2,1H3
InChIKeyIUOTVRGRXBLHQX-UHFFFAOYSA-N
XLogP3.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.16
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-iodophenyl)-(3-fluoro-5-methylphenyl)methanamine?
The IUPAC name of (4-fluoro-2-iodophenyl)-(3-fluoro-5-methylphenyl)methanamine (CID 114030220) is (4-fluoro-2-iodophenyl)-(3-fluoro-5-methylphenyl)methanamine.
What is the SMILES notation for (4-fluoro-2-iodophenyl)-(3-fluoro-5-methylphenyl)methanamine?
The canonical SMILES for (4-fluoro-2-iodophenyl)-(3-fluoro-5-methylphenyl)methanamine is Cc1cc(F)cc(C(N)c2ccc(F)cc2I)c1.
What is the InChIKey of (4-fluoro-2-iodophenyl)-(3-fluoro-5-methylphenyl)methanamine?
The InChIKey is IUOTVRGRXBLHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2IN/c1-8-4-9(6-11(16)5-8)14(18)12-3-2-10(15)7-13(12)17/h2-7,14H,18H2,1H3.
What are the key properties of (4-fluoro-2-iodophenyl)-(3-fluoro-5-methylphenyl)methanamine?
(4-fluoro-2-iodophenyl)-(3-fluoro-5-methylphenyl)methanamine has a molecular weight of 359.16 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-iodophenyl)-(3-fluoro-5-methylphenyl)methanamine is sourced from PubChem (CID 114030220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).