2-(6-amino-4-bromo-2,3-difluoroanilino)-2-methylpropan-1-ol

C10H13BrF2N2O — CID 171735148

IUPAC2-(6-amino-4-bromo-2,3-difluoroanilino)-2-methylpropan-1-ol
SMILESCC(C)(CO)Nc1c(N)cc(Br)c(F)c1F
InChIInChI=1S/C10H13BrF2N2O/c1-10(2,4-16)15-9-6(14)3-5(11)7(12)8(9)13/h3,15-16H,4,14H2,1-2H3
InChIKeyVGCMSUXTVJSNCH-UHFFFAOYSA-N
MW295.13 g/mol
LogP2.49
Rot. Bonds3

About 2-(6-amino-4-bromo-2,3-difluoroanilino)-2-methylpropan-1-ol

2-(6-amino-4-bromo-2,3-difluoroanilino)-2-methylpropan-1-ol (PubChem CID 171735148) has the molecular formula C10H13BrF2N2O and a molecular weight of 295.13 g/mol. Its IUPAC name is 2-(6-amino-4-bromo-2,3-difluoroanilino)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(6-amino-4-bromo-2,3-difluoroanilino)-2-methylpropan-1-ol
PubChem CID171735148
Molecular FormulaC10H13BrF2N2O
Molecular Weight295.13 g/mol
Exact Mass294.02
IUPAC Name2-(6-amino-4-bromo-2,3-difluoroanilino)-2-methylpropan-1-ol
SMILESCC(C)(CO)Nc1c(N)cc(Br)c(F)c1F
InChIInChI=1S/C10H13BrF2N2O/c1-10(2,4-16)15-9-6(14)3-5(11)7(12)8(9)13/h3,15-16H,4,14H2,1-2H3
InChIKeyVGCMSUXTVJSNCH-UHFFFAOYSA-N
XLogP2.49
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.13
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-4-bromo-2,3-difluoroanilino)-2-methylpropan-1-ol?
The IUPAC name of 2-(6-amino-4-bromo-2,3-difluoroanilino)-2-methylpropan-1-ol (CID 171735148) is 2-(6-amino-4-bromo-2,3-difluoroanilino)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(6-amino-4-bromo-2,3-difluoroanilino)-2-methylpropan-1-ol?
The canonical SMILES for 2-(6-amino-4-bromo-2,3-difluoroanilino)-2-methylpropan-1-ol is CC(C)(CO)Nc1c(N)cc(Br)c(F)c1F.
What is the InChIKey of 2-(6-amino-4-bromo-2,3-difluoroanilino)-2-methylpropan-1-ol?
The InChIKey is VGCMSUXTVJSNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrF2N2O/c1-10(2,4-16)15-9-6(14)3-5(11)7(12)8(9)13/h3,15-16H,4,14H2,1-2H3.
What are the key properties of 2-(6-amino-4-bromo-2,3-difluoroanilino)-2-methylpropan-1-ol?
2-(6-amino-4-bromo-2,3-difluoroanilino)-2-methylpropan-1-ol has a molecular weight of 295.13 g/mol, XLogP of 2.49, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-4-bromo-2,3-difluoroanilino)-2-methylpropan-1-ol is sourced from PubChem (CID 171735148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).