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

C10H11BrF3NO — CID 123452041

IUPAC4-amino-3-(5-bromo-2-fluorophenyl)-2,2-difluorobutan-1-ol
SMILESNCC(c1cc(Br)ccc1F)C(F)(F)CO
InChIInChI=1S/C10H11BrF3NO/c11-6-1-2-9(12)7(3-6)8(4-15)10(13,14)5-16/h1-3,8,16H,4-5,15H2
InChIKeyWBRSSRNNUBGBGH-UHFFFAOYSA-N
MW298.10 g/mol
LogP2.26
Rot. Bonds4

About 4-amino-3-(5-bromo-2-fluorophenyl)-2,2-difluorobutan-1-ol

4-amino-3-(5-bromo-2-fluorophenyl)-2,2-difluorobutan-1-ol (PubChem CID 123452041) has the molecular formula C10H11BrF3NO and a molecular weight of 298.10 g/mol. Its IUPAC name is 4-amino-3-(5-bromo-2-fluorophenyl)-2,2-difluorobutan-1-ol.

Molecular Properties

Compound Name4-amino-3-(5-bromo-2-fluorophenyl)-2,2-difluorobutan-1-ol
PubChem CID123452041
Molecular FormulaC10H11BrF3NO
Molecular Weight298.10 g/mol
Exact Mass297.00
IUPAC Name4-amino-3-(5-bromo-2-fluorophenyl)-2,2-difluorobutan-1-ol
SMILESNCC(c1cc(Br)ccc1F)C(F)(F)CO
InChIInChI=1S/C10H11BrF3NO/c11-6-1-2-9(12)7(3-6)8(4-15)10(13,14)5-16/h1-3,8,16H,4-5,15H2
InChIKeyWBRSSRNNUBGBGH-UHFFFAOYSA-N
XLogP2.26
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.10
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 44891234
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CID 65815519
2-Amino-2-[4-bromo-2-(trifluoromethyl)phenyl]ethan-1-ol
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3-Amino-2-[(3-bromo-5-fluorophenyl)methyl]propan-1-ol hydrochloride
CID 121553155
3-Amino-2-(3-bromophenyl)propan-1-ol hydrochloride
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(2S)-2-amino-2-(3-bromo-4-fluorophenyl)ethan-1-olhydrochloride
CID 165667117
(2S)-2-amino-3-(3-bromophenyl)propan-1-ol hydrochloride
CID 178200029
3-Amino-2-[(2-bromophenyl)methyl]propan-1-ol
CID 53276178
3-Amino-2-[(4-bromophenyl)methyl]propan-1-ol
CID 53276179
3-Amino-2-[(3-bromo-4-fluorophenyl)methyl]propan-1-ol
CID 55169760
3-Amino-2-[(3-bromophenyl)methyl]propan-1-ol
CID 63216382
2-(Aminomethyl)-3-(3-bromo-5-fluorophenyl)propan-1-ol
CID 79709673

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(5-bromo-2-fluorophenyl)-2,2-difluorobutan-1-ol?
The IUPAC name of 4-amino-3-(5-bromo-2-fluorophenyl)-2,2-difluorobutan-1-ol (CID 123452041) is 4-amino-3-(5-bromo-2-fluorophenyl)-2,2-difluorobutan-1-ol.
What is the SMILES notation for 4-amino-3-(5-bromo-2-fluorophenyl)-2,2-difluorobutan-1-ol?
The canonical SMILES for 4-amino-3-(5-bromo-2-fluorophenyl)-2,2-difluorobutan-1-ol is NCC(c1cc(Br)ccc1F)C(F)(F)CO.
What is the InChIKey of 4-amino-3-(5-bromo-2-fluorophenyl)-2,2-difluorobutan-1-ol?
The InChIKey is WBRSSRNNUBGBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF3NO/c11-6-1-2-9(12)7(3-6)8(4-15)10(13,14)5-16/h1-3,8,16H,4-5,15H2.
What are the key properties of 4-amino-3-(5-bromo-2-fluorophenyl)-2,2-difluorobutan-1-ol?
4-amino-3-(5-bromo-2-fluorophenyl)-2,2-difluorobutan-1-ol has a molecular weight of 298.10 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(5-bromo-2-fluorophenyl)-2,2-difluorobutan-1-ol is sourced from PubChem (CID 123452041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).