[4-fluoro-3-(trifluoromethyl)phenyl]-(3-iodophenyl)methanamine

C14H10F4IN — CID 107291836

IUPAC[4-fluoro-3-(trifluoromethyl)phenyl]-(3-iodophenyl)methanamine
SMILESNC(c1cccc(I)c1)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C14H10F4IN/c15-12-5-4-9(7-11(12)14(16,17)18)13(20)8-2-1-3-10(19)6-8/h1-7,13H,20H2
InChIKeyGUYDMIIKHIBBKF-UHFFFAOYSA-N
MW395.14 g/mol
LogP4.50
Rot. Bonds2

About [4-fluoro-3-(trifluoromethyl)phenyl]-(3-iodophenyl)methanamine

[4-fluoro-3-(trifluoromethyl)phenyl]-(3-iodophenyl)methanamine (PubChem CID 107291836) has the molecular formula C14H10F4IN and a molecular weight of 395.14 g/mol. Its IUPAC name is [4-fluoro-3-(trifluoromethyl)phenyl]-(3-iodophenyl)methanamine.

Molecular Properties

Compound Name[4-fluoro-3-(trifluoromethyl)phenyl]-(3-iodophenyl)methanamine
PubChem CID107291836
Molecular FormulaC14H10F4IN
Molecular Weight395.14 g/mol
Exact Mass394.98
IUPAC Name[4-fluoro-3-(trifluoromethyl)phenyl]-(3-iodophenyl)methanamine
SMILESNC(c1cccc(I)c1)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C14H10F4IN/c15-12-5-4-9(7-11(12)14(16,17)18)13(20)8-2-1-3-10(19)6-8/h1-7,13H,20H2
InChIKeyGUYDMIIKHIBBKF-UHFFFAOYSA-N
XLogP4.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.14
LogP ≤ 54.50
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-fluoro-3-(trifluoromethyl)phenyl]-(3-methylphenyl)methanamine
CID 115790064
(2-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 115801247
(2-bromo-6-fluorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 107289435
[3-fluoro-4-(trifluoromethyl)phenyl]-(4-iodophenyl)methanamine
CID 107291498
(5-bromothiophen-3-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 107291801
(3-bromo-5-fluorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 107289052
(1R)-2-fluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanamine
CID 131481827
(3-iodophenyl)-(4-propan-2-ylphenyl)methanamine
CID 43625266
(2-fluoro-5-methylphenyl)-(3-iodophenyl)methanamine
CID 115852651
1-[3-fluoro-4-(trifluoromethyl)phenyl]-1-(3-iodophenyl)-N-methylmethanamine
CID 107291463
(4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine
CID 107288719
(4-chlorophenyl)-[4-chloro-3-(trifluoromethyl)phenyl]methanamine
CID 138040700

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-3-(trifluoromethyl)phenyl]-(3-iodophenyl)methanamine?
The IUPAC name of [4-fluoro-3-(trifluoromethyl)phenyl]-(3-iodophenyl)methanamine (CID 107291836) is [4-fluoro-3-(trifluoromethyl)phenyl]-(3-iodophenyl)methanamine.
What is the SMILES notation for [4-fluoro-3-(trifluoromethyl)phenyl]-(3-iodophenyl)methanamine?
The canonical SMILES for [4-fluoro-3-(trifluoromethyl)phenyl]-(3-iodophenyl)methanamine is NC(c1cccc(I)c1)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of [4-fluoro-3-(trifluoromethyl)phenyl]-(3-iodophenyl)methanamine?
The InChIKey is GUYDMIIKHIBBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F4IN/c15-12-5-4-9(7-11(12)14(16,17)18)13(20)8-2-1-3-10(19)6-8/h1-7,13H,20H2.
What are the key properties of [4-fluoro-3-(trifluoromethyl)phenyl]-(3-iodophenyl)methanamine?
[4-fluoro-3-(trifluoromethyl)phenyl]-(3-iodophenyl)methanamine has a molecular weight of 395.14 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-3-(trifluoromethyl)phenyl]-(3-iodophenyl)methanamine is sourced from PubChem (CID 107291836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).