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

C11H13BrF3NO — CID 71742847

IUPAC4-amino-4-(5-bromo-2-fluorophenyl)-2,2-difluoropentan-1-ol
SMILESCC(N)(CC(F)(F)CO)c1cc(Br)ccc1F
InChIInChI=1S/C11H13BrF3NO/c1-10(16,5-11(14,15)6-17)8-4-7(12)2-3-9(8)13/h2-4,17H,5-6,16H2,1H3
InChIKeyAYYAASGDEADLKX-UHFFFAOYSA-N
MW312.13 g/mol
LogP2.78
Rot. Bonds4

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

4-amino-4-(5-bromo-2-fluorophenyl)-2,2-difluoropentan-1-ol (PubChem CID 71742847) has the molecular formula C11H13BrF3NO and a molecular weight of 312.13 g/mol. Its IUPAC name is 4-amino-4-(5-bromo-2-fluorophenyl)-2,2-difluoropentan-1-ol.

Molecular Properties

Compound Name4-amino-4-(5-bromo-2-fluorophenyl)-2,2-difluoropentan-1-ol
PubChem CID71742847
Molecular FormulaC11H13BrF3NO
Molecular Weight312.13 g/mol
Exact Mass311.01
IUPAC Name4-amino-4-(5-bromo-2-fluorophenyl)-2,2-difluoropentan-1-ol
SMILESCC(N)(CC(F)(F)CO)c1cc(Br)ccc1F
InChIInChI=1S/C11H13BrF3NO/c1-10(16,5-11(14,15)6-17)8-4-7(12)2-3-9(8)13/h2-4,17H,5-6,16H2,1H3
InChIKeyAYYAASGDEADLKX-UHFFFAOYSA-N
XLogP2.78
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.13
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 66666062
(2S,4R)-4-amino-4-(5-bromo-2-fluorophenyl)pentan-2-ol
CID 126754947
2-(5-bromo-2-fluorophenyl)-2,2-difluoroethanol
CID 116841188
(1R)-1-amino-1-(5-bromo-2-fluorophenyl)propan-1-ol
CID 172687592
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CID 116839454
[[(2R)-2-(5-bromo-2-fluorophenyl)-3,3-difluoro-4-hydroxybutan-2-yl]amino]-tert-butylsulfanium
CID 152885106
3-(5-bromo-2-fluorophenyl)-3,3-difluoro-2,2-dimethylpropan-1-amine
CID 116839684
(2R)-2-[(1R)-1-amino-1-(5-bromo-2-fluorophenyl)ethyl]cyclopropan-1-ol
CID 90441828
(3R)-3-(5-bromo-2-fluorophenyl)-4-[(S)-tert-butylsulfinyl]-2,2-difluoro-3-methylbutan-1-ol
CID 58563006
2-[(5-bromo-2-fluorophenyl)methylamino]-2-methylpropan-1-ol
CID 28724862
(2R)-2-(5-bromo-2-fluorophenyl)-1-(4-fluoropyrazol-1-yl)propan-2-amine
CID 141342108
2-amino-2-(2-fluoro-5-methoxyphenyl)propan-1-ol
CID 55271150

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-(5-bromo-2-fluorophenyl)-2,2-difluoropentan-1-ol?
The IUPAC name of 4-amino-4-(5-bromo-2-fluorophenyl)-2,2-difluoropentan-1-ol (CID 71742847) is 4-amino-4-(5-bromo-2-fluorophenyl)-2,2-difluoropentan-1-ol.
What is the SMILES notation for 4-amino-4-(5-bromo-2-fluorophenyl)-2,2-difluoropentan-1-ol?
The canonical SMILES for 4-amino-4-(5-bromo-2-fluorophenyl)-2,2-difluoropentan-1-ol is CC(N)(CC(F)(F)CO)c1cc(Br)ccc1F.
What is the InChIKey of 4-amino-4-(5-bromo-2-fluorophenyl)-2,2-difluoropentan-1-ol?
The InChIKey is AYYAASGDEADLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF3NO/c1-10(16,5-11(14,15)6-17)8-4-7(12)2-3-9(8)13/h2-4,17H,5-6,16H2,1H3.
What are the key properties of 4-amino-4-(5-bromo-2-fluorophenyl)-2,2-difluoropentan-1-ol?
4-amino-4-(5-bromo-2-fluorophenyl)-2,2-difluoropentan-1-ol has a molecular weight of 312.13 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-(5-bromo-2-fluorophenyl)-2,2-difluoropentan-1-ol is sourced from PubChem (CID 71742847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).