2-(4-amino-6-bromo-2,3-dihydrochromen-4-yl)-2,2-difluoroethanol

C11H12BrF2NO2 — CID 71059668

IUPAC2-(4-amino-6-bromo-2,3-dihydrochromen-4-yl)-2,2-difluoroethanol
SMILESNC1(C(F)(F)CO)CCOc2ccc(Br)cc21
InChIInChI=1S/C11H12BrF2NO2/c12-7-1-2-9-8(5-7)10(15,3-4-17-9)11(13,14)6-16/h1-2,5,16H,3-4,6,15H2
InChIKeyOHIIZICHYGTPJR-UHFFFAOYSA-N
MW308.12 g/mol
LogP2.01
Rot. Bonds2

About 2-(4-amino-6-bromo-2,3-dihydrochromen-4-yl)-2,2-difluoroethanol

2-(4-amino-6-bromo-2,3-dihydrochromen-4-yl)-2,2-difluoroethanol (PubChem CID 71059668) has the molecular formula C11H12BrF2NO2 and a molecular weight of 308.12 g/mol. Its IUPAC name is 2-(4-amino-6-bromo-2,3-dihydrochromen-4-yl)-2,2-difluoroethanol.

Molecular Properties

Compound Name2-(4-amino-6-bromo-2,3-dihydrochromen-4-yl)-2,2-difluoroethanol
PubChem CID71059668
Molecular FormulaC11H12BrF2NO2
Molecular Weight308.12 g/mol
Exact Mass307.00
IUPAC Name2-(4-amino-6-bromo-2,3-dihydrochromen-4-yl)-2,2-difluoroethanol
SMILESNC1(C(F)(F)CO)CCOc2ccc(Br)cc21
InChIInChI=1S/C11H12BrF2NO2/c12-7-1-2-9-8(5-7)10(15,3-4-17-9)11(13,14)6-16/h1-2,5,16H,3-4,6,15H2
InChIKeyOHIIZICHYGTPJR-UHFFFAOYSA-N
XLogP2.01
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.12
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-6-bromo-2,3-dihydrochromen-4-yl)-2,2-difluoroethanol?
The IUPAC name of 2-(4-amino-6-bromo-2,3-dihydrochromen-4-yl)-2,2-difluoroethanol (CID 71059668) is 2-(4-amino-6-bromo-2,3-dihydrochromen-4-yl)-2,2-difluoroethanol.
What is the SMILES notation for 2-(4-amino-6-bromo-2,3-dihydrochromen-4-yl)-2,2-difluoroethanol?
The canonical SMILES for 2-(4-amino-6-bromo-2,3-dihydrochromen-4-yl)-2,2-difluoroethanol is NC1(C(F)(F)CO)CCOc2ccc(Br)cc21.
What is the InChIKey of 2-(4-amino-6-bromo-2,3-dihydrochromen-4-yl)-2,2-difluoroethanol?
The InChIKey is OHIIZICHYGTPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF2NO2/c12-7-1-2-9-8(5-7)10(15,3-4-17-9)11(13,14)6-16/h1-2,5,16H,3-4,6,15H2.
What are the key properties of 2-(4-amino-6-bromo-2,3-dihydrochromen-4-yl)-2,2-difluoroethanol?
2-(4-amino-6-bromo-2,3-dihydrochromen-4-yl)-2,2-difluoroethanol has a molecular weight of 308.12 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-6-bromo-2,3-dihydrochromen-4-yl)-2,2-difluoroethanol is sourced from PubChem (CID 71059668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).