3-[(4-bromo-2-chlorophenyl)methylamino]-2,2-difluoropropan-1-ol

C10H11BrClF2NO — CID 104857655

IUPAC3-[(4-bromo-2-chlorophenyl)methylamino]-2,2-difluoropropan-1-ol
SMILESOCC(F)(F)CNCc1ccc(Br)cc1Cl
InChIInChI=1S/C10H11BrClF2NO/c11-8-2-1-7(9(12)3-8)4-15-5-10(13,14)6-16/h1-3,15-16H,4-6H2
InChIKeyCRNZZRISTGYVED-UHFFFAOYSA-N
MW314.56 g/mol
LogP2.82
Rot. Bonds5

About 3-[(4-bromo-2-chlorophenyl)methylamino]-2,2-difluoropropan-1-ol

3-[(4-bromo-2-chlorophenyl)methylamino]-2,2-difluoropropan-1-ol (PubChem CID 104857655) has the molecular formula C10H11BrClF2NO and a molecular weight of 314.56 g/mol. Its IUPAC name is 3-[(4-bromo-2-chlorophenyl)methylamino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[(4-bromo-2-chlorophenyl)methylamino]-2,2-difluoropropan-1-ol
PubChem CID104857655
Molecular FormulaC10H11BrClF2NO
Molecular Weight314.56 g/mol
Exact Mass312.97
IUPAC Name3-[(4-bromo-2-chlorophenyl)methylamino]-2,2-difluoropropan-1-ol
SMILESOCC(F)(F)CNCc1ccc(Br)cc1Cl
InChIInChI=1S/C10H11BrClF2NO/c11-8-2-1-7(9(12)3-8)4-15-5-10(13,14)6-16/h1-3,15-16H,4-6H2
InChIKeyCRNZZRISTGYVED-UHFFFAOYSA-N
XLogP2.82
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.56
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromo-2-chlorophenyl)methylamino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[(4-bromo-2-chlorophenyl)methylamino]-2,2-difluoropropan-1-ol (CID 104857655) is 3-[(4-bromo-2-chlorophenyl)methylamino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[(4-bromo-2-chlorophenyl)methylamino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[(4-bromo-2-chlorophenyl)methylamino]-2,2-difluoropropan-1-ol is OCC(F)(F)CNCc1ccc(Br)cc1Cl.
What is the InChIKey of 3-[(4-bromo-2-chlorophenyl)methylamino]-2,2-difluoropropan-1-ol?
The InChIKey is CRNZZRISTGYVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClF2NO/c11-8-2-1-7(9(12)3-8)4-15-5-10(13,14)6-16/h1-3,15-16H,4-6H2.
What are the key properties of 3-[(4-bromo-2-chlorophenyl)methylamino]-2,2-difluoropropan-1-ol?
3-[(4-bromo-2-chlorophenyl)methylamino]-2,2-difluoropropan-1-ol has a molecular weight of 314.56 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromo-2-chlorophenyl)methylamino]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 104857655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).