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

C10H10BrClF3NO — CID 103698720

IUPAC3-[(4-bromo-2-chlorophenyl)methylamino]-1,1,1-trifluoropropan-2-ol
SMILESOC(CNCc1ccc(Br)cc1Cl)C(F)(F)F
InChIInChI=1S/C10H10BrClF3NO/c11-7-2-1-6(8(12)3-7)4-16-5-9(17)10(13,14)15/h1-3,9,16-17H,4-5H2
InChIKeyMFUKQZITTGTOQA-UHFFFAOYSA-N
MW332.55 g/mol
LogP3.12
Rot. Bonds4

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

3-[(4-bromo-2-chlorophenyl)methylamino]-1,1,1-trifluoropropan-2-ol (PubChem CID 103698720) has the molecular formula C10H10BrClF3NO and a molecular weight of 332.55 g/mol. Its IUPAC name is 3-[(4-bromo-2-chlorophenyl)methylamino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[(4-bromo-2-chlorophenyl)methylamino]-1,1,1-trifluoropropan-2-ol
PubChem CID103698720
Molecular FormulaC10H10BrClF3NO
Molecular Weight332.55 g/mol
Exact Mass330.96
IUPAC Name3-[(4-bromo-2-chlorophenyl)methylamino]-1,1,1-trifluoropropan-2-ol
SMILESOC(CNCc1ccc(Br)cc1Cl)C(F)(F)F
InChIInChI=1S/C10H10BrClF3NO/c11-7-2-1-6(8(12)3-7)4-16-5-9(17)10(13,14)15/h1-3,9,16-17H,4-5H2
InChIKeyMFUKQZITTGTOQA-UHFFFAOYSA-N
XLogP3.12
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.55
LogP ≤ 53.12
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]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[(4-bromo-2-chlorophenyl)methylamino]-1,1,1-trifluoropropan-2-ol (CID 103698720) is 3-[(4-bromo-2-chlorophenyl)methylamino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[(4-bromo-2-chlorophenyl)methylamino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[(4-bromo-2-chlorophenyl)methylamino]-1,1,1-trifluoropropan-2-ol is OC(CNCc1ccc(Br)cc1Cl)C(F)(F)F.
What is the InChIKey of 3-[(4-bromo-2-chlorophenyl)methylamino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is MFUKQZITTGTOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClF3NO/c11-7-2-1-6(8(12)3-7)4-16-5-9(17)10(13,14)15/h1-3,9,16-17H,4-5H2.
What are the key properties of 3-[(4-bromo-2-chlorophenyl)methylamino]-1,1,1-trifluoropropan-2-ol?
3-[(4-bromo-2-chlorophenyl)methylamino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 332.55 g/mol, XLogP of 3.12, 4 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]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 103698720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).