2-fluoro-4-(iodomethyl)aniline

C7H7FIN — CID 160977967

IUPAC2-fluoro-4-(iodomethyl)aniline
SMILESNc1ccc(CI)cc1F
InChIInChI=1S/C7H7FIN/c8-6-3-5(4-9)1-2-7(6)10/h1-3H,4,10H2
InChIKeySZCXOVKXGSIPSM-UHFFFAOYSA-N
MW251.04 g/mol
LogP2.34
Rot. Bonds1

About 2-fluoro-4-(iodomethyl)aniline

2-fluoro-4-(iodomethyl)aniline (PubChem CID 160977967) has the molecular formula C7H7FIN and a molecular weight of 251.04 g/mol. Its IUPAC name is 2-fluoro-4-(iodomethyl)aniline.

Molecular Properties

Compound Name2-fluoro-4-(iodomethyl)aniline
PubChem CID160977967
Molecular FormulaC7H7FIN
Molecular Weight251.04 g/mol
Exact Mass250.96
IUPAC Name2-fluoro-4-(iodomethyl)aniline
SMILESNc1ccc(CI)cc1F
InChIInChI=1S/C7H7FIN/c8-6-3-5(4-9)1-2-7(6)10/h1-3H,4,10H2
InChIKeySZCXOVKXGSIPSM-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2-difluoro-4-(iodomethyl)benzene
CID 11161116
2-fluoro-4-pentylaniline
CID 146198864
4-(2-amino-3,3,3-trifluoropropyl)-2-fluoroaniline;hydrochloride
CID 117046713
4-(2-amino-3-methylbut-3-enyl)-2-fluoroaniline
CID 143489299
1-[(4-amino-3-fluorophenyl)methyl]pyrrolidine-3,4-diol
CID 106667782
4-[(3,4-difluorophenyl)methylsulfanyl]-2-fluoroaniline
CID 82918266
2,4-difluoroaniline;methane
CID 155026278
2,4-difluoroaniline;hydrofluoride
CID 170944018
4-[[ethyl(propan-2-yl)amino]methyl]-2-fluoroaniline
CID 63188681
4-[(4-ethylpiperazin-1-yl)methyl]-2-fluoroaniline
CID 63188373
4-(diethoxyphosphorylmethyl)-2-fluoroaniline
CID 86697720
2-fluoro-4-N-[(4-fluorophenyl)methyl]benzene-1,4-diamine
CID 115123848

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(iodomethyl)aniline?
The IUPAC name of 2-fluoro-4-(iodomethyl)aniline (CID 160977967) is 2-fluoro-4-(iodomethyl)aniline.
What is the SMILES notation for 2-fluoro-4-(iodomethyl)aniline?
The canonical SMILES for 2-fluoro-4-(iodomethyl)aniline is Nc1ccc(CI)cc1F.
What is the InChIKey of 2-fluoro-4-(iodomethyl)aniline?
The InChIKey is SZCXOVKXGSIPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FIN/c8-6-3-5(4-9)1-2-7(6)10/h1-3H,4,10H2.
What are the key properties of 2-fluoro-4-(iodomethyl)aniline?
2-fluoro-4-(iodomethyl)aniline has a molecular weight of 251.04 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(iodomethyl)aniline is sourced from PubChem (CID 160977967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).