(2-fluoro-3-iodophenyl)methanamine

C7H7FIN — CID 71042623

IUPAC(2-fluoro-3-iodophenyl)methanamine
SMILESNCc1cccc(I)c1F
InChIInChI=1S/C7H7FIN/c8-7-5(4-10)2-1-3-6(7)9/h1-3H,4,10H2
InChIKeyOABFFEGZIRUOMI-UHFFFAOYSA-N
MW251.04 g/mol
LogP1.89
Rot. Bonds1

About (2-fluoro-3-iodophenyl)methanamine

(2-fluoro-3-iodophenyl)methanamine (PubChem CID 71042623) has the molecular formula C7H7FIN and a molecular weight of 251.04 g/mol. Its IUPAC name is (2-fluoro-3-iodophenyl)methanamine.

Molecular Properties

Compound Name(2-fluoro-3-iodophenyl)methanamine
PubChem CID71042623
Molecular FormulaC7H7FIN
Molecular Weight251.04 g/mol
Exact Mass250.96
IUPAC Name(2-fluoro-3-iodophenyl)methanamine
SMILESNCc1cccc(I)c1F
InChIInChI=1S/C7H7FIN/c8-7-5(4-10)2-1-3-6(7)9/h1-3H,4,10H2
InChIKeyOABFFEGZIRUOMI-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

(2,3-difluorophenyl)methanamine
CID 2736941
(2,6-diiodophenyl)methanamine
CID 165176750
(2-fluoro-3-propylphenyl)methanamine
CID 139576799
(4-fluoro-2-iodophenyl)methanamine
CID 21069911
[2-fluoro-3-(3-methylbutan-2-yloxymethyl)phenyl]methanamine
CID 107114173
1-fluoro-2,3-diiodobenzene
CID 10958978
(4,5-difluoro-2-iodophenyl)methanamine
CID 86775727
1,2,3-triiodobenzene
CID 139071365
(6-bromo-2-fluoro-3-iodophenyl)methanamine
CID 171018361
(4-bromo-2,3-difluorophenyl)methanamine
CID 66820102
2-(2-iodophenyl)ethanamine;hydrochloride
CID 20517474
[2-fluoro-3-[2-(trifluoromethyl)phenyl]phenyl]methanamine
CID 134631455

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-3-iodophenyl)methanamine?
The IUPAC name of (2-fluoro-3-iodophenyl)methanamine (CID 71042623) is (2-fluoro-3-iodophenyl)methanamine.
What is the SMILES notation for (2-fluoro-3-iodophenyl)methanamine?
The canonical SMILES for (2-fluoro-3-iodophenyl)methanamine is NCc1cccc(I)c1F.
What is the InChIKey of (2-fluoro-3-iodophenyl)methanamine?
The InChIKey is OABFFEGZIRUOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FIN/c8-7-5(4-10)2-1-3-6(7)9/h1-3H,4,10H2.
What are the key properties of (2-fluoro-3-iodophenyl)methanamine?
(2-fluoro-3-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 (2-fluoro-3-iodophenyl)methanamine is sourced from PubChem (CID 71042623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).