3-(4-fluoro-2-iodoanilino)-2-methylbutan-2-ol

C11H15FINO — CID 79768647

IUPAC3-(4-fluoro-2-iodoanilino)-2-methylbutan-2-ol
SMILESCC(Nc1ccc(F)cc1I)C(C)(C)O
InChIInChI=1S/C11H15FINO/c1-7(11(2,3)15)14-10-5-4-8(12)6-9(10)13/h4-7,14-15H,1-3H3
InChIKeyFBXYSMOGNCNNMI-UHFFFAOYSA-N
MW323.15 g/mol
LogP3.00
Rot. Bonds3

About 3-(4-fluoro-2-iodoanilino)-2-methylbutan-2-ol

3-(4-fluoro-2-iodoanilino)-2-methylbutan-2-ol (PubChem CID 79768647) has the molecular formula C11H15FINO and a molecular weight of 323.15 g/mol. Its IUPAC name is 3-(4-fluoro-2-iodoanilino)-2-methylbutan-2-ol.

Molecular Properties

Compound Name3-(4-fluoro-2-iodoanilino)-2-methylbutan-2-ol
PubChem CID79768647
Molecular FormulaC11H15FINO
Molecular Weight323.15 g/mol
Exact Mass323.02
IUPAC Name3-(4-fluoro-2-iodoanilino)-2-methylbutan-2-ol
SMILESCC(Nc1ccc(F)cc1I)C(C)(C)O
InChIInChI=1S/C11H15FINO/c1-7(11(2,3)15)14-10-5-4-8(12)6-9(10)13/h4-7,14-15H,1-3H3
InChIKeyFBXYSMOGNCNNMI-UHFFFAOYSA-N
XLogP3.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.15
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-chloro-4-fluoroanilino)-2-methylbutan-2-ol
CID 65332798
3-(2,5-difluoroanilino)-2-methylbutan-2-ol
CID 65332839
3-(2-fluoro-4-methylanilino)-2-methylbutan-2-ol
CID 65332580
3-(4-chloro-2-fluoroanilino)-2-methylbutan-2-ol
CID 65337978
4-fluoro-2-iodo-N-pentan-2-ylaniline
CID 79769228
2-[1-(4-fluoro-2-iodoanilino)ethyl]phenol
CID 79769055
3-(5-chloro-2-fluoroanilino)-2-methylbutan-2-ol
CID 65333189
N-(4-fluoro-2-iodophenyl)-2-methylpropane-2-sulfonamide
CID 79767137
methyl 3-(4-fluoro-2-iodoanilino)butanoate
CID 79768929
4-[1-(4-fluoro-2-iodoanilino)ethyl]benzene-1,3-diol
CID 79769236
4-fluoro-2-iodo-N-(2-methylbutyl)aniline
CID 79769161
2-(4-fluoro-2-iodoanilino)-1-piperidin-1-ylpropan-1-one
CID 79768419

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-2-iodoanilino)-2-methylbutan-2-ol?
The IUPAC name of 3-(4-fluoro-2-iodoanilino)-2-methylbutan-2-ol (CID 79768647) is 3-(4-fluoro-2-iodoanilino)-2-methylbutan-2-ol.
What is the SMILES notation for 3-(4-fluoro-2-iodoanilino)-2-methylbutan-2-ol?
The canonical SMILES for 3-(4-fluoro-2-iodoanilino)-2-methylbutan-2-ol is CC(Nc1ccc(F)cc1I)C(C)(C)O.
What is the InChIKey of 3-(4-fluoro-2-iodoanilino)-2-methylbutan-2-ol?
The InChIKey is FBXYSMOGNCNNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FINO/c1-7(11(2,3)15)14-10-5-4-8(12)6-9(10)13/h4-7,14-15H,1-3H3.
What are the key properties of 3-(4-fluoro-2-iodoanilino)-2-methylbutan-2-ol?
3-(4-fluoro-2-iodoanilino)-2-methylbutan-2-ol has a molecular weight of 323.15 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-2-iodoanilino)-2-methylbutan-2-ol is sourced from PubChem (CID 79768647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).