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

C10H11BrClF2NO — CID 103731463

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

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

3-[(4-bromo-2-chlorophenyl)methylamino]-1,1-difluoropropan-2-ol (PubChem CID 103731463) has the molecular formula C10H11BrClF2NO and a molecular weight of 314.56 g/mol. Its IUPAC name is 3-[(4-bromo-2-chlorophenyl)methylamino]-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name3-[(4-bromo-2-chlorophenyl)methylamino]-1,1-difluoropropan-2-ol
PubChem CID103731463
Molecular FormulaC10H11BrClF2NO
Molecular Weight314.56 g/mol
Exact Mass312.97
IUPAC Name3-[(4-bromo-2-chlorophenyl)methylamino]-1,1-difluoropropan-2-ol
SMILESOC(CNCc1ccc(Br)cc1Cl)C(F)F
InChIInChI=1S/C10H11BrClF2NO/c11-7-2-1-6(8(12)3-7)4-15-5-9(16)10(13)14/h1-3,9-10,15-16H,4-5H2
InChIKeyNTEPTGYJGVNHKZ-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]-1,1-difluoropropan-2-ol?
The IUPAC name of 3-[(4-bromo-2-chlorophenyl)methylamino]-1,1-difluoropropan-2-ol (CID 103731463) is 3-[(4-bromo-2-chlorophenyl)methylamino]-1,1-difluoropropan-2-ol.
What is the SMILES notation for 3-[(4-bromo-2-chlorophenyl)methylamino]-1,1-difluoropropan-2-ol?
The canonical SMILES for 3-[(4-bromo-2-chlorophenyl)methylamino]-1,1-difluoropropan-2-ol is OC(CNCc1ccc(Br)cc1Cl)C(F)F.
What is the InChIKey of 3-[(4-bromo-2-chlorophenyl)methylamino]-1,1-difluoropropan-2-ol?
The InChIKey is NTEPTGYJGVNHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClF2NO/c11-7-2-1-6(8(12)3-7)4-15-5-9(16)10(13)14/h1-3,9-10,15-16H,4-5H2.
What are the key properties of 3-[(4-bromo-2-chlorophenyl)methylamino]-1,1-difluoropropan-2-ol?
3-[(4-bromo-2-chlorophenyl)methylamino]-1,1-difluoropropan-2-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]-1,1-difluoropropan-2-ol is sourced from PubChem (CID 103731463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).