(3,6-difluoro-2-iodophenyl)methanamine

C7H6F2IN — CID 171014963

IUPAC(3,6-difluoro-2-iodophenyl)methanamine
SMILESNCc1c(F)ccc(F)c1I
InChIInChI=1S/C7H6F2IN/c8-5-1-2-6(9)7(10)4(5)3-11/h1-2H,3,11H2
InChIKeyDQORHWJQDUPUOI-UHFFFAOYSA-N
MW269.03 g/mol
LogP2.03
Rot. Bonds1

About (3,6-difluoro-2-iodophenyl)methanamine

(3,6-difluoro-2-iodophenyl)methanamine (PubChem CID 171014963) has the molecular formula C7H6F2IN and a molecular weight of 269.03 g/mol. Its IUPAC name is (3,6-difluoro-2-iodophenyl)methanamine.

Molecular Properties

Compound Name(3,6-difluoro-2-iodophenyl)methanamine
PubChem CID171014963
Molecular FormulaC7H6F2IN
Molecular Weight269.03 g/mol
Exact Mass268.95
IUPAC Name(3,6-difluoro-2-iodophenyl)methanamine
SMILESNCc1c(F)ccc(F)c1I
InChIInChI=1S/C7H6F2IN/c8-5-1-2-6(9)7(10)4(5)3-11/h1-2H,3,11H2
InChIKeyDQORHWJQDUPUOI-UHFFFAOYSA-N
XLogP2.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.03
LogP ≤ 52.03
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

(2-bromo-3,6-difluorophenyl)methanamine
CID 124707320
(2-bromo-3-fluoro-6-iodophenyl)methanamine
CID 171018100
3-ethyl-1-fluoro-2,4-diiodobenzene
CID 118802109
2-(aminomethyl)-3,6-difluorobenzonitrile
CID 118991249
2-(aminomethyl)-3,6-difluorobenzoic acid
CID 115017213
(3-fluoro-6-iodo-2-pyridinyl)methanamine
CID 130926038
[3-(difluoromethoxy)-2,6-difluorophenyl]methanamine
CID 130934033
2-(aminomethyl)-6-bromo-3-fluorobenzonitrile
CID 171013972
(2,6-diiodophenyl)methanamine
CID 165176750
2-bromo-1,4-difluoro-3-iodobenzene
CID 50998401
(6-bromo-2-fluoro-3-iodophenyl)methanamine
CID 171018361
[2-fluoro-6-(2-fluorophenoxy)phenyl]methanamine
CID 79516548

Frequently Asked Questions

What is the IUPAC name of (3,6-difluoro-2-iodophenyl)methanamine?
The IUPAC name of (3,6-difluoro-2-iodophenyl)methanamine (CID 171014963) is (3,6-difluoro-2-iodophenyl)methanamine.
What is the SMILES notation for (3,6-difluoro-2-iodophenyl)methanamine?
The canonical SMILES for (3,6-difluoro-2-iodophenyl)methanamine is NCc1c(F)ccc(F)c1I.
What is the InChIKey of (3,6-difluoro-2-iodophenyl)methanamine?
The InChIKey is DQORHWJQDUPUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2IN/c8-5-1-2-6(9)7(10)4(5)3-11/h1-2H,3,11H2.
What are the key properties of (3,6-difluoro-2-iodophenyl)methanamine?
(3,6-difluoro-2-iodophenyl)methanamine has a molecular weight of 269.03 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,6-difluoro-2-iodophenyl)methanamine is sourced from PubChem (CID 171014963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).