(4-chloro-5-fluoro-2-iodophenyl)methanamine

C7H6ClFIN — CID 171016038

IUPAC(4-chloro-5-fluoro-2-iodophenyl)methanamine
SMILESNCc1cc(F)c(Cl)cc1I
InChIInChI=1S/C7H6ClFIN/c8-5-2-7(10)4(3-11)1-6(5)9/h1-2H,3,11H2
InChIKeyQHXRAIXXFPQDLU-UHFFFAOYSA-N
MW285.49 g/mol
LogP2.54
Rot. Bonds1

About (4-chloro-5-fluoro-2-iodophenyl)methanamine

(4-chloro-5-fluoro-2-iodophenyl)methanamine (PubChem CID 171016038) has the molecular formula C7H6ClFIN and a molecular weight of 285.49 g/mol. Its IUPAC name is (4-chloro-5-fluoro-2-iodophenyl)methanamine.

Molecular Properties

Compound Name(4-chloro-5-fluoro-2-iodophenyl)methanamine
PubChem CID171016038
Molecular FormulaC7H6ClFIN
Molecular Weight285.49 g/mol
Exact Mass284.92
IUPAC Name(4-chloro-5-fluoro-2-iodophenyl)methanamine
SMILESNCc1cc(F)c(Cl)cc1I
InChIInChI=1S/C7H6ClFIN/c8-5-2-7(10)4(3-11)1-6(5)9/h1-2H,3,11H2
InChIKeyQHXRAIXXFPQDLU-UHFFFAOYSA-N
XLogP2.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.49
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(4,5-difluoro-2-iodophenyl)methanamine
CID 86775727
(5-chloro-2-iodophenyl)methanamine;hydrochloride
CID 122156655
1-chloro-4-(difluoromethyl)-2-fluoro-5-iodobenzene
CID 171003742
1-bromo-4-chloro-5-fluoro-2-iodobenzene
CID 50999479
3-(4-chloro-2,5-difluorophenyl)propan-1-amine
CID 84778847
(4-fluoro-2-iodophenyl)methanamine
CID 21069911
(4-chloro-2,3,5-trifluorophenyl)methanamine
CID 117110798
2-(2-chloro-5-fluoro-4-iodophenyl)acetonitrile
CID 171005051
(2-bromo-4-fluoro-5-iodophenyl)methanamine
CID 171018227
(5-chloro-3-fluoro-2,4-dimethylphenyl)methanamine
CID 84770610
1-(chloromethyl)-5-fluoro-2,4-diiodobenzene
CID 131118250
(2,4-dichloro-5-fluorophenyl)methanol
CID 2774017

Frequently Asked Questions

What is the IUPAC name of (4-chloro-5-fluoro-2-iodophenyl)methanamine?
The IUPAC name of (4-chloro-5-fluoro-2-iodophenyl)methanamine (CID 171016038) is (4-chloro-5-fluoro-2-iodophenyl)methanamine.
What is the SMILES notation for (4-chloro-5-fluoro-2-iodophenyl)methanamine?
The canonical SMILES for (4-chloro-5-fluoro-2-iodophenyl)methanamine is NCc1cc(F)c(Cl)cc1I.
What is the InChIKey of (4-chloro-5-fluoro-2-iodophenyl)methanamine?
The InChIKey is QHXRAIXXFPQDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClFIN/c8-5-2-7(10)4(3-11)1-6(5)9/h1-2H,3,11H2.
What are the key properties of (4-chloro-5-fluoro-2-iodophenyl)methanamine?
(4-chloro-5-fluoro-2-iodophenyl)methanamine has a molecular weight of 285.49 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-5-fluoro-2-iodophenyl)methanamine is sourced from PubChem (CID 171016038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).