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

C11H13BrClF2NO — CID 106172989

IUPAC3-[1-(4-bromo-2-chlorophenyl)ethylamino]-2,2-difluoropropan-1-ol
SMILESCC(NCC(F)(F)CO)c1ccc(Br)cc1Cl
InChIInChI=1S/C11H13BrClF2NO/c1-7(16-5-11(14,15)6-17)9-3-2-8(12)4-10(9)13/h2-4,7,16-17H,5-6H2,1H3
InChIKeyRXCAWGUFUVHMPM-UHFFFAOYSA-N
MW328.58 g/mol
LogP3.38
Rot. Bonds5

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

3-[1-(4-bromo-2-chlorophenyl)ethylamino]-2,2-difluoropropan-1-ol (PubChem CID 106172989) has the molecular formula C11H13BrClF2NO and a molecular weight of 328.58 g/mol. Its IUPAC name is 3-[1-(4-bromo-2-chlorophenyl)ethylamino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[1-(4-bromo-2-chlorophenyl)ethylamino]-2,2-difluoropropan-1-ol
PubChem CID106172989
Molecular FormulaC11H13BrClF2NO
Molecular Weight328.58 g/mol
Exact Mass326.98
IUPAC Name3-[1-(4-bromo-2-chlorophenyl)ethylamino]-2,2-difluoropropan-1-ol
SMILESCC(NCC(F)(F)CO)c1ccc(Br)cc1Cl
InChIInChI=1S/C11H13BrClF2NO/c1-7(16-5-11(14,15)6-17)9-3-2-8(12)4-10(9)13/h2-4,7,16-17H,5-6H2,1H3
InChIKeyRXCAWGUFUVHMPM-UHFFFAOYSA-N
XLogP3.38
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.58
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-bromo-2-chlorophenyl)ethylamino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[1-(4-bromo-2-chlorophenyl)ethylamino]-2,2-difluoropropan-1-ol (CID 106172989) is 3-[1-(4-bromo-2-chlorophenyl)ethylamino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[1-(4-bromo-2-chlorophenyl)ethylamino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[1-(4-bromo-2-chlorophenyl)ethylamino]-2,2-difluoropropan-1-ol is CC(NCC(F)(F)CO)c1ccc(Br)cc1Cl.
What is the InChIKey of 3-[1-(4-bromo-2-chlorophenyl)ethylamino]-2,2-difluoropropan-1-ol?
The InChIKey is RXCAWGUFUVHMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClF2NO/c1-7(16-5-11(14,15)6-17)9-3-2-8(12)4-10(9)13/h2-4,7,16-17H,5-6H2,1H3.
What are the key properties of 3-[1-(4-bromo-2-chlorophenyl)ethylamino]-2,2-difluoropropan-1-ol?
3-[1-(4-bromo-2-chlorophenyl)ethylamino]-2,2-difluoropropan-1-ol has a molecular weight of 328.58 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-bromo-2-chlorophenyl)ethylamino]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 106172989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).