(3R)-3-amino-3-[2-bromo-4-(trifluoromethyl)phenyl]propan-1-ol

C10H11BrF3NO — CID 131873275

IUPAC(3R)-3-amino-3-[2-bromo-4-(trifluoromethyl)phenyl]propan-1-ol
SMILESN[C@H](CCO)c1ccc(C(F)(F)F)cc1Br
InChIInChI=1S/C10H11BrF3NO/c11-8-5-6(10(12,13)14)1-2-7(8)9(15)3-4-16/h1-2,5,9,16H,3-4,15H2/t9-/m1/s1
InChIKeyKONCVDAEGXHKPY-SECBINFHSA-N
MW298.10 g/mol
LogP2.85
Rot. Bonds3

About (3R)-3-amino-3-[2-bromo-4-(trifluoromethyl)phenyl]propan-1-ol

(3R)-3-amino-3-[2-bromo-4-(trifluoromethyl)phenyl]propan-1-ol (PubChem CID 131873275) has the molecular formula C10H11BrF3NO and a molecular weight of 298.10 g/mol. Its IUPAC name is (3R)-3-amino-3-[2-bromo-4-(trifluoromethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name(3R)-3-amino-3-[2-bromo-4-(trifluoromethyl)phenyl]propan-1-ol
PubChem CID131873275
Molecular FormulaC10H11BrF3NO
Molecular Weight298.10 g/mol
Exact Mass297.00
IUPAC Name(3R)-3-amino-3-[2-bromo-4-(trifluoromethyl)phenyl]propan-1-ol
SMILESN[C@H](CCO)c1ccc(C(F)(F)F)cc1Br
InChIInChI=1S/C10H11BrF3NO/c11-8-5-6(10(12,13)14)1-2-7(8)9(15)3-4-16/h1-2,5,9,16H,3-4,15H2/t9-/m1/s1
InChIKeyKONCVDAEGXHKPY-SECBINFHSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-amino-4-[2-bromo-5-(trifluoromethyl)phenyl]butan-1-ol;hydrochloride
CID 171226799
3-amino-3-(2-bromo-4-fluorophenyl)propan-1-ol
CID 84706428
(1S)-1-[2-bromo-4-(trifluoromethyl)phenyl]ethanamine
CID 131172048
(3S)-3-amino-3-[2,5-bis(trifluoromethyl)phenyl]propan-1-ol;hydrochloride
CID 171228457
1-[2-bromo-5-(trifluoromethyl)phenyl]-4,4,4-trifluorobutan-1-amine
CID 104992641
(2R)-2-amino-2-[2-bromo-5-(trifluoromethyl)phenyl]ethanol;hydrochloride
CID 171226794
4-[(1S)-1-amino-3-hydroxypropyl]-3-(trifluoromethyl)phenol
CID 131872319
[2-[(1R)-1,2-diaminoethyl]-5-(trifluoromethyl)phenyl]methanol
CID 66518100
(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]butan-1-amine
CID 171207355
3-bromo-1-[2-bromo-4-(trifluoromethyl)phenyl]propane-1,2-diol
CID 171861129
(1S)-1-[2-fluoro-4-(trifluoromethyl)phenyl]pentane-1,5-diamine
CID 171226925
3-amino-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-ol
CID 170875067

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-[2-bromo-4-(trifluoromethyl)phenyl]propan-1-ol?
The IUPAC name of (3R)-3-amino-3-[2-bromo-4-(trifluoromethyl)phenyl]propan-1-ol (CID 131873275) is (3R)-3-amino-3-[2-bromo-4-(trifluoromethyl)phenyl]propan-1-ol.
What is the SMILES notation for (3R)-3-amino-3-[2-bromo-4-(trifluoromethyl)phenyl]propan-1-ol?
The canonical SMILES for (3R)-3-amino-3-[2-bromo-4-(trifluoromethyl)phenyl]propan-1-ol is N[C@H](CCO)c1ccc(C(F)(F)F)cc1Br.
What is the InChIKey of (3R)-3-amino-3-[2-bromo-4-(trifluoromethyl)phenyl]propan-1-ol?
The InChIKey is KONCVDAEGXHKPY-SECBINFHSA-N. The full InChI is InChI=1S/C10H11BrF3NO/c11-8-5-6(10(12,13)14)1-2-7(8)9(15)3-4-16/h1-2,5,9,16H,3-4,15H2/t9-/m1/s1.
What are the key properties of (3R)-3-amino-3-[2-bromo-4-(trifluoromethyl)phenyl]propan-1-ol?
(3R)-3-amino-3-[2-bromo-4-(trifluoromethyl)phenyl]propan-1-ol has a molecular weight of 298.10 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-[2-bromo-4-(trifluoromethyl)phenyl]propan-1-ol is sourced from PubChem (CID 131873275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).