(2S,4R)-4-amino-4-(5-bromo-2-fluorophenyl)pentan-2-ol

C11H15BrFNO — CID 126754947

IUPAC(2S,4R)-4-amino-4-(5-bromo-2-fluorophenyl)pentan-2-ol
SMILESC[C@H](O)C[C@@](C)(N)c1cc(Br)ccc1F
InChIInChI=1S/C11H15BrFNO/c1-7(15)6-11(2,14)9-5-8(12)3-4-10(9)13/h3-5,7,15H,6,14H2,1-2H3/t7-,11+/m0/s1
InChIKeyFMKVHIRKWIFWNA-WRWORJQWSA-N
MW276.15 g/mol
LogP2.53
Rot. Bonds3

About (2S,4R)-4-amino-4-(5-bromo-2-fluorophenyl)pentan-2-ol

(2S,4R)-4-amino-4-(5-bromo-2-fluorophenyl)pentan-2-ol (PubChem CID 126754947) has the molecular formula C11H15BrFNO and a molecular weight of 276.15 g/mol. Its IUPAC name is (2S,4R)-4-amino-4-(5-bromo-2-fluorophenyl)pentan-2-ol.

Molecular Properties

Compound Name(2S,4R)-4-amino-4-(5-bromo-2-fluorophenyl)pentan-2-ol
PubChem CID126754947
Molecular FormulaC11H15BrFNO
Molecular Weight276.15 g/mol
Exact Mass275.03
IUPAC Name(2S,4R)-4-amino-4-(5-bromo-2-fluorophenyl)pentan-2-ol
SMILESC[C@H](O)C[C@@](C)(N)c1cc(Br)ccc1F
InChIInChI=1S/C11H15BrFNO/c1-7(15)6-11(2,14)9-5-8(12)3-4-10(9)13/h3-5,7,15H,6,14H2,1-2H3/t7-,11+/m0/s1
InChIKeyFMKVHIRKWIFWNA-WRWORJQWSA-N
XLogP2.53
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.15
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-4-(5-bromo-2,4-difluorophenyl)pentan-2-ol
CID 77248047
4-amino-4-(5-bromo-2-fluorophenyl)-2,2-difluoropentan-1-ol
CID 71742847
(1R)-1-amino-1-(5-bromo-2-fluorophenyl)propan-1-ol
CID 172687592
4-bromo-2-(4-bromo-2-methylpentan-2-yl)-1-fluorobenzene
CID 79739124
3-amino-3-(5-bromo-2-fluorophenyl)-2,2-difluorobutan-1-ol
CID 66666062
1-(5-bromo-2-fluorophenyl)-1,1-difluoro-2-methylpropan-2-amine
CID 116839454
(2R)-2-[(1R)-1-amino-1-(5-bromo-2-fluorophenyl)ethyl]cyclopropan-1-ol
CID 90441828
4-(5-bromo-2-fluorophenyl)-N-ethyl-4-methylpentan-2-amine
CID 79739119
(2R)-2-(5-bromo-2-fluorophenyl)-1-(4-fluoropyrazol-1-yl)propan-2-amine
CID 141342108
3-(5-bromo-2-fluorophenyl)-3,3-difluoro-2,2-dimethylpropan-1-amine
CID 116839684
(2R)-1-(5-bromo-2-fluoroanilino)propan-2-ol
CID 93345470
(2S,4S)-4-amino-4-(5-bromo-2-fluoro-3-pyridinyl)-1,1,1-trifluoropentan-2-ol
CID 90373032

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-amino-4-(5-bromo-2-fluorophenyl)pentan-2-ol?
The IUPAC name of (2S,4R)-4-amino-4-(5-bromo-2-fluorophenyl)pentan-2-ol (CID 126754947) is (2S,4R)-4-amino-4-(5-bromo-2-fluorophenyl)pentan-2-ol.
What is the SMILES notation for (2S,4R)-4-amino-4-(5-bromo-2-fluorophenyl)pentan-2-ol?
The canonical SMILES for (2S,4R)-4-amino-4-(5-bromo-2-fluorophenyl)pentan-2-ol is C[C@H](O)C[C@@](C)(N)c1cc(Br)ccc1F.
What is the InChIKey of (2S,4R)-4-amino-4-(5-bromo-2-fluorophenyl)pentan-2-ol?
The InChIKey is FMKVHIRKWIFWNA-WRWORJQWSA-N. The full InChI is InChI=1S/C11H15BrFNO/c1-7(15)6-11(2,14)9-5-8(12)3-4-10(9)13/h3-5,7,15H,6,14H2,1-2H3/t7-,11+/m0/s1.
What are the key properties of (2S,4R)-4-amino-4-(5-bromo-2-fluorophenyl)pentan-2-ol?
(2S,4R)-4-amino-4-(5-bromo-2-fluorophenyl)pentan-2-ol has a molecular weight of 276.15 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-amino-4-(5-bromo-2-fluorophenyl)pentan-2-ol is sourced from PubChem (CID 126754947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).