(2R)-2-[(1R)-1-amino-1-(5-bromo-2-fluorophenyl)ethyl]cyclopropan-1-ol

C11H13BrFNO — CID 90441828

IUPAC(2R)-2-[(1R)-1-amino-1-(5-bromo-2-fluorophenyl)ethyl]cyclopropan-1-ol
SMILESC[C@](N)(c1cc(Br)ccc1F)[C@H]1CC1O
InChIInChI=1S/C11H13BrFNO/c1-11(14,8-5-10(8)15)7-4-6(12)2-3-9(7)13/h2-4,8,10,15H,5,14H2,1H3/t8-,10?,11-/m0/s1
InChIKeyQKWHZBNIUIOOFG-ZWTOGROKSA-N
MW274.13 g/mol
LogP2.14
Rot. Bonds2

About (2R)-2-[(1R)-1-amino-1-(5-bromo-2-fluorophenyl)ethyl]cyclopropan-1-ol

(2R)-2-[(1R)-1-amino-1-(5-bromo-2-fluorophenyl)ethyl]cyclopropan-1-ol (PubChem CID 90441828) has the molecular formula C11H13BrFNO and a molecular weight of 274.13 g/mol. Its IUPAC name is (2R)-2-[(1R)-1-amino-1-(5-bromo-2-fluorophenyl)ethyl]cyclopropan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(1R)-1-amino-1-(5-bromo-2-fluorophenyl)ethyl]cyclopropan-1-ol
PubChem CID90441828
Molecular FormulaC11H13BrFNO
Molecular Weight274.13 g/mol
Exact Mass273.02
IUPAC Name(2R)-2-[(1R)-1-amino-1-(5-bromo-2-fluorophenyl)ethyl]cyclopropan-1-ol
SMILESC[C@](N)(c1cc(Br)ccc1F)[C@H]1CC1O
InChIInChI=1S/C11H13BrFNO/c1-11(14,8-5-10(8)15)7-4-6(12)2-3-9(7)13/h2-4,8,10,15H,5,14H2,1H3/t8-,10?,11-/m0/s1
InChIKeyQKWHZBNIUIOOFG-ZWTOGROKSA-N
XLogP2.14
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.13
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-fluorophenyl)-1,1-difluoro-2-methylpropan-2-amine
CID 116839454
3-amino-3-(5-bromo-2-fluorophenyl)-2,2-difluorobutan-1-ol
CID 66666062
(1R)-1-amino-1-(5-bromo-2-fluorophenyl)propan-1-ol
CID 172687592
(2S,4R)-4-amino-4-(5-bromo-2-fluorophenyl)pentan-2-ol
CID 126754947
4-amino-4-(5-bromo-2-fluorophenyl)-2,2-difluoropentan-1-ol
CID 71742847
4-bromo-2-[2-(2-bromo-4-methylcyclohexyl)propan-2-yl]-1-fluorobenzene
CID 79739320
2-(5-bromo-2-fluorophenyl)-N,2-dimethylpropanehydrazide
CID 116845964
3-(5-bromo-2-fluorophenyl)-3,3-difluoro-2,2-dimethylpropan-1-amine
CID 116839684
1-(5-bromo-2-fluorophenyl)-1-(2-methylphenyl)ethanol
CID 79743593
1-(5-bromo-2-fluorophenyl)-1-(3-methylthiophen-2-yl)ethanol
CID 79742355
1-azido-2-(5-bromo-2-fluorophenyl)propan-2-ol
CID 123611548
2-(5-bromo-2-fluorophenyl)-2,2-difluoroethanol
CID 116841188

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1R)-1-amino-1-(5-bromo-2-fluorophenyl)ethyl]cyclopropan-1-ol?
The IUPAC name of (2R)-2-[(1R)-1-amino-1-(5-bromo-2-fluorophenyl)ethyl]cyclopropan-1-ol (CID 90441828) is (2R)-2-[(1R)-1-amino-1-(5-bromo-2-fluorophenyl)ethyl]cyclopropan-1-ol.
What is the SMILES notation for (2R)-2-[(1R)-1-amino-1-(5-bromo-2-fluorophenyl)ethyl]cyclopropan-1-ol?
The canonical SMILES for (2R)-2-[(1R)-1-amino-1-(5-bromo-2-fluorophenyl)ethyl]cyclopropan-1-ol is C[C@](N)(c1cc(Br)ccc1F)[C@H]1CC1O.
What is the InChIKey of (2R)-2-[(1R)-1-amino-1-(5-bromo-2-fluorophenyl)ethyl]cyclopropan-1-ol?
The InChIKey is QKWHZBNIUIOOFG-ZWTOGROKSA-N. The full InChI is InChI=1S/C11H13BrFNO/c1-11(14,8-5-10(8)15)7-4-6(12)2-3-9(7)13/h2-4,8,10,15H,5,14H2,1H3/t8-,10?,11-/m0/s1.
What are the key properties of (2R)-2-[(1R)-1-amino-1-(5-bromo-2-fluorophenyl)ethyl]cyclopropan-1-ol?
(2R)-2-[(1R)-1-amino-1-(5-bromo-2-fluorophenyl)ethyl]cyclopropan-1-ol has a molecular weight of 274.13 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1R)-1-amino-1-(5-bromo-2-fluorophenyl)ethyl]cyclopropan-1-ol is sourced from PubChem (CID 90441828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).