(4,5-difluoro-2-iodophenyl)methanamine

C7H6F2IN — CID 86775727

IUPAC(4,5-difluoro-2-iodophenyl)methanamine
SMILESNCc1cc(F)c(F)cc1I
InChIInChI=1S/C7H6F2IN/c8-5-1-4(3-11)7(10)2-6(5)9/h1-2H,3,11H2
InChIKeyQXTXGZDPSSNEIW-UHFFFAOYSA-N
MW269.03 g/mol
LogP2.03
Rot. Bonds1

About (4,5-difluoro-2-iodophenyl)methanamine

(4,5-difluoro-2-iodophenyl)methanamine (PubChem CID 86775727) has the molecular formula C7H6F2IN and a molecular weight of 269.03 g/mol. Its IUPAC name is (4,5-difluoro-2-iodophenyl)methanamine.

Molecular Properties

Compound Name(4,5-difluoro-2-iodophenyl)methanamine
PubChem CID86775727
Molecular FormulaC7H6F2IN
Molecular Weight269.03 g/mol
Exact Mass268.95
IUPAC Name(4,5-difluoro-2-iodophenyl)methanamine
SMILESNCc1cc(F)c(F)cc1I
InChIInChI=1S/C7H6F2IN/c8-5-1-4(3-11)7(10)2-6(5)9/h1-2H,3,11H2
InChIKeyQXTXGZDPSSNEIW-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

(4-chloro-5-fluoro-2-iodophenyl)methanamine
CID 171016038
(4-fluoro-2-iodophenyl)methanamine
CID 21069911
(2-bromo-4-fluoro-5-iodophenyl)methanamine
CID 171018227
2-(aminomethyl)-4,5-difluorobenzaldehyde
CID 117276821
(3,5-difluoro-2,4-dimethylphenyl)methanamine
CID 84765917
(5-chloro-2-iodophenyl)methanamine;hydrochloride
CID 122156655
(4-bromo-2-iodo-5-methylphenyl)methanamine
CID 171018926
1-(chloromethyl)-5-fluoro-2,4-diiodobenzene
CID 131118250
4-(aminomethyl)-3-iodoaniline
CID 91883183
1-(bromomethyl)-2,5-difluoro-4-iodobenzene
CID 131263553
(2-fluoro-3-iodophenyl)methanamine
CID 71042623
(4-chloro-2,3,5-trifluorophenyl)methanamine
CID 117110798

Frequently Asked Questions

What is the IUPAC name of (4,5-difluoro-2-iodophenyl)methanamine?
The IUPAC name of (4,5-difluoro-2-iodophenyl)methanamine (CID 86775727) is (4,5-difluoro-2-iodophenyl)methanamine.
What is the SMILES notation for (4,5-difluoro-2-iodophenyl)methanamine?
The canonical SMILES for (4,5-difluoro-2-iodophenyl)methanamine is NCc1cc(F)c(F)cc1I.
What is the InChIKey of (4,5-difluoro-2-iodophenyl)methanamine?
The InChIKey is QXTXGZDPSSNEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2IN/c8-5-1-4(3-11)7(10)2-6(5)9/h1-2H,3,11H2.
What are the key properties of (4,5-difluoro-2-iodophenyl)methanamine?
(4,5-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 (4,5-difluoro-2-iodophenyl)methanamine is sourced from PubChem (CID 86775727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).