3,4-difluoro-2-iodoaniline;hydrochloride

C6H5ClF2IN — CID 165431084

IUPAC3,4-difluoro-2-iodoaniline;hydrochloride
SMILESCl.Nc1ccc(F)c(F)c1I
InChIInChI=1S/C6H4F2IN.ClH/c7-3-1-2-4(10)6(9)5(3)8;/h1-2H,10H2;1H
InChIKeyKBVUSGKWBUDHLZ-UHFFFAOYSA-N
MW291.47 g/mol
LogP2.57
Rot. Bonds

About 3,4-difluoro-2-iodoaniline;hydrochloride

3,4-difluoro-2-iodoaniline;hydrochloride (PubChem CID 165431084) has the molecular formula C6H5ClF2IN and a molecular weight of 291.47 g/mol. Its IUPAC name is 3,4-difluoro-2-iodoaniline;hydrochloride.

Molecular Properties

Compound Name3,4-difluoro-2-iodoaniline;hydrochloride
PubChem CID165431084
Molecular FormulaC6H5ClF2IN
Molecular Weight291.47 g/mol
Exact Mass290.91
IUPAC Name3,4-difluoro-2-iodoaniline;hydrochloride
SMILESCl.Nc1ccc(F)c(F)c1I
InChIInChI=1S/C6H4F2IN.ClH/c7-3-1-2-4(10)6(9)5(3)8;/h1-2H,10H2;1H
InChIKeyKBVUSGKWBUDHLZ-UHFFFAOYSA-N
XLogP2.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.47
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-2-iodobenzene-1,3-diamine
CID 135395533
3,4-difluorobenzene-1,2-diamine
CID 2736753
3-amino-6-fluoro-2-iodobenzoic acid
CID 131563982
2-(2-aminoethyl)-3,4-difluoroaniline
CID 55254324
6-amino-2,3-difluorobenzenethiol
CID 18435220
2-[2-(6-amino-2,3-difluorophenoxy)ethoxy]-3,4-difluoroaniline
CID 10358364
4-fluoro-3-iodo-2-(trifluoromethyl)aniline
CID 130935825
3,4-difluoro-2-methylaniline;ethane
CID 143670035
(3,4-difluoro-2-iodophenyl)methanol
CID 137378555
2-ethoxy-3,4-difluoroaniline
CID 22118017
1-(6-amino-2,3-difluorophenyl)ethane-1,2-diamine
CID 55274919
1-arsoroso-3,4-difluoro-2-iodobenzene
CID 172524647

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-2-iodoaniline;hydrochloride?
The IUPAC name of 3,4-difluoro-2-iodoaniline;hydrochloride (CID 165431084) is 3,4-difluoro-2-iodoaniline;hydrochloride.
What is the SMILES notation for 3,4-difluoro-2-iodoaniline;hydrochloride?
The canonical SMILES for 3,4-difluoro-2-iodoaniline;hydrochloride is Cl.Nc1ccc(F)c(F)c1I.
What is the InChIKey of 3,4-difluoro-2-iodoaniline;hydrochloride?
The InChIKey is KBVUSGKWBUDHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F2IN.ClH/c7-3-1-2-4(10)6(9)5(3)8;/h1-2H,10H2;1H.
What are the key properties of 3,4-difluoro-2-iodoaniline;hydrochloride?
3,4-difluoro-2-iodoaniline;hydrochloride has a molecular weight of 291.47 g/mol, XLogP of 2.57, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-2-iodoaniline;hydrochloride is sourced from PubChem (CID 165431084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).