(4-fluoro-2-iodophenyl)methanamine

C7H7FIN — CID 21069911

IUPAC(4-fluoro-2-iodophenyl)methanamine
SMILESNCc1ccc(F)cc1I
InChIInChI=1S/C7H7FIN/c8-6-2-1-5(4-10)7(9)3-6/h1-3H,4,10H2
InChIKeyGJIAYSKCVGZMTG-UHFFFAOYSA-N
MW251.04 g/mol
LogP1.89
Rot. Bonds1

About (4-fluoro-2-iodophenyl)methanamine

(4-fluoro-2-iodophenyl)methanamine (PubChem CID 21069911) has the molecular formula C7H7FIN and a molecular weight of 251.04 g/mol. Its IUPAC name is (4-fluoro-2-iodophenyl)methanamine.

Molecular Properties

Compound Name(4-fluoro-2-iodophenyl)methanamine
PubChem CID21069911
Molecular FormulaC7H7FIN
Molecular Weight251.04 g/mol
Exact Mass250.96
IUPAC Name(4-fluoro-2-iodophenyl)methanamine
SMILESNCc1ccc(F)cc1I
InChIInChI=1S/C7H7FIN/c8-6-2-1-5(4-10)7(9)3-6/h1-3H,4,10H2
InChIKeyGJIAYSKCVGZMTG-UHFFFAOYSA-N
XLogP1.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.04
LogP ≤ 51.89
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

[2-(aminomethyl)-4-fluorophenyl]methanamine
CID 44784876
4-(aminomethyl)-3-iodoaniline
CID 91883183
CID 155601387
CID 155601387
(4,5-difluoro-2-iodophenyl)methanamine
CID 86775727
4-(4-fluoro-2-iodophenyl)butan-2-amine
CID 130054391
[5-fluoro-2-(methoxymethyl)phenyl]methanamine
CID 63289386
2-(aminomethyl)-5-fluoro-N,N-dimethylaniline
CID 117110792
2-chloro-3-(4-fluoro-2-iodophenyl)propanamide
CID 104513260
(2-iodo-4-methoxyphenyl)methanamine;hydrochloride
CID 170917022
[4-fluoro-2-(5-fluoro-2-methylphenyl)phenyl]methanamine
CID 114060188
(4-fluoro-2-phenylphenyl)methanamine
CID 46314898
(4-fluoro-2-isocyanatophenyl)methanamine
CID 172855842

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-iodophenyl)methanamine?
The IUPAC name of (4-fluoro-2-iodophenyl)methanamine (CID 21069911) is (4-fluoro-2-iodophenyl)methanamine.
What is the SMILES notation for (4-fluoro-2-iodophenyl)methanamine?
The canonical SMILES for (4-fluoro-2-iodophenyl)methanamine is NCc1ccc(F)cc1I.
What is the InChIKey of (4-fluoro-2-iodophenyl)methanamine?
The InChIKey is GJIAYSKCVGZMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FIN/c8-6-2-1-5(4-10)7(9)3-6/h1-3H,4,10H2.
What are the key properties of (4-fluoro-2-iodophenyl)methanamine?
(4-fluoro-2-iodophenyl)methanamine has a molecular weight of 251.04 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-iodophenyl)methanamine is sourced from PubChem (CID 21069911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).