3-amino-3-(5-bromo-2-fluorophenyl)-2,2-difluorobutan-1-ol

C10H11BrF3NO — CID 66666062

IUPAC3-amino-3-(5-bromo-2-fluorophenyl)-2,2-difluorobutan-1-ol
SMILESCC(N)(c1cc(Br)ccc1F)C(F)(F)CO
InChIInChI=1S/C10H11BrF3NO/c1-9(15,10(13,14)5-16)7-4-6(11)2-3-8(7)12/h2-4,16H,5,15H2,1H3
InChIKeyGXDBBLGEZPJVHO-UHFFFAOYSA-N
MW298.10 g/mol
LogP2.39
Rot. Bonds3

About 3-amino-3-(5-bromo-2-fluorophenyl)-2,2-difluorobutan-1-ol

3-amino-3-(5-bromo-2-fluorophenyl)-2,2-difluorobutan-1-ol (PubChem CID 66666062) has the molecular formula C10H11BrF3NO and a molecular weight of 298.10 g/mol. Its IUPAC name is 3-amino-3-(5-bromo-2-fluorophenyl)-2,2-difluorobutan-1-ol.

Molecular Properties

Compound Name3-amino-3-(5-bromo-2-fluorophenyl)-2,2-difluorobutan-1-ol
PubChem CID66666062
Molecular FormulaC10H11BrF3NO
Molecular Weight298.10 g/mol
Exact Mass297.00
IUPAC Name3-amino-3-(5-bromo-2-fluorophenyl)-2,2-difluorobutan-1-ol
SMILESCC(N)(c1cc(Br)ccc1F)C(F)(F)CO
InChIInChI=1S/C10H11BrF3NO/c1-9(15,10(13,14)5-16)7-4-6(11)2-3-8(7)12/h2-4,16H,5,15H2,1H3
InChIKeyGXDBBLGEZPJVHO-UHFFFAOYSA-N
XLogP2.39
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.10
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-4-(5-bromo-2-fluorophenyl)-2,2-difluoropentan-1-ol
CID 71742847
(3R)-3-amino-3-(5-bromo-2,4-difluorophenyl)-2,2-difluorobutan-1-ol
CID 71008979
[[(2R)-2-(5-bromo-2-fluorophenyl)-3,3-difluoro-4-hydroxybutan-2-yl]amino]-tert-butylsulfanium
CID 152885106
2-(5-bromo-2-fluorophenyl)-2,2-difluoroethanol
CID 116841188
(3R)-3-(5-bromo-2-fluorophenyl)-4-[(S)-tert-butylsulfinyl]-2,2-difluoro-3-methylbutan-1-ol
CID 58563006
1-(5-bromo-2-fluorophenyl)-1,1-difluoro-2-methylpropan-2-amine
CID 116839454
(1R)-1-amino-1-(5-bromo-2-fluorophenyl)propan-1-ol
CID 172687592
N-[2-(5-bromo-2-fluorophenyl)-3,3-difluoro-4-hydroxybutan-2-yl]-2-chloroacetamide
CID 66665738
3-(5-bromo-2-fluorophenyl)-3,3-difluoro-2,2-dimethylpropan-1-amine
CID 116839684
(2S,4R)-4-amino-4-(5-bromo-2-fluorophenyl)pentan-2-ol
CID 126754947
(2R)-2-[(1R)-1-amino-1-(5-bromo-2-fluorophenyl)ethyl]cyclopropan-1-ol
CID 90441828
2-(5-bromo-2-fluorophenyl)-2-[2-(diethylamino)ethylamino]propan-1-ol
CID 82973754

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(5-bromo-2-fluorophenyl)-2,2-difluorobutan-1-ol?
The IUPAC name of 3-amino-3-(5-bromo-2-fluorophenyl)-2,2-difluorobutan-1-ol (CID 66666062) is 3-amino-3-(5-bromo-2-fluorophenyl)-2,2-difluorobutan-1-ol.
What is the SMILES notation for 3-amino-3-(5-bromo-2-fluorophenyl)-2,2-difluorobutan-1-ol?
The canonical SMILES for 3-amino-3-(5-bromo-2-fluorophenyl)-2,2-difluorobutan-1-ol is CC(N)(c1cc(Br)ccc1F)C(F)(F)CO.
What is the InChIKey of 3-amino-3-(5-bromo-2-fluorophenyl)-2,2-difluorobutan-1-ol?
The InChIKey is GXDBBLGEZPJVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF3NO/c1-9(15,10(13,14)5-16)7-4-6(11)2-3-8(7)12/h2-4,16H,5,15H2,1H3.
What are the key properties of 3-amino-3-(5-bromo-2-fluorophenyl)-2,2-difluorobutan-1-ol?
3-amino-3-(5-bromo-2-fluorophenyl)-2,2-difluorobutan-1-ol has a molecular weight of 298.10 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(5-bromo-2-fluorophenyl)-2,2-difluorobutan-1-ol is sourced from PubChem (CID 66666062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).