3-amino-2-(3-bromophenyl)-1,1,1-trifluoropropan-2-ol

C9H9BrF3NO — CID 84739096

IUPAC3-amino-2-(3-bromophenyl)-1,1,1-trifluoropropan-2-ol
SMILESNCC(O)(c1cccc(Br)c1)C(F)(F)F
InChIInChI=1S/C9H9BrF3NO/c10-7-3-1-2-6(4-7)8(15,5-14)9(11,12)13/h1-4,15H,5,14H2
InChIKeyJIVGENADPYCTIR-UHFFFAOYSA-N
MW284.07 g/mol
LogP2.16
Rot. Bonds2

About 3-amino-2-(3-bromophenyl)-1,1,1-trifluoropropan-2-ol

3-amino-2-(3-bromophenyl)-1,1,1-trifluoropropan-2-ol (PubChem CID 84739096) has the molecular formula C9H9BrF3NO and a molecular weight of 284.07 g/mol. Its IUPAC name is 3-amino-2-(3-bromophenyl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-amino-2-(3-bromophenyl)-1,1,1-trifluoropropan-2-ol
PubChem CID84739096
Molecular FormulaC9H9BrF3NO
Molecular Weight284.07 g/mol
Exact Mass282.98
IUPAC Name3-amino-2-(3-bromophenyl)-1,1,1-trifluoropropan-2-ol
SMILESNCC(O)(c1cccc(Br)c1)C(F)(F)F
InChIInChI=1S/C9H9BrF3NO/c10-7-3-1-2-6(4-7)8(15,5-14)9(11,12)13/h1-4,15H,5,14H2
InChIKeyJIVGENADPYCTIR-UHFFFAOYSA-N
XLogP2.16
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.07
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1,1,1-trifluoro-2-(3-propylphenyl)propan-2-ol
CID 116545598
3-amino-2,2-bis(3-bromophenyl)propan-1-ol
CID 129196579
3-amino-1,1,1-trifluoro-2-[3-fluoro-4-(trifluoromethyl)phenyl]propan-2-ol
CID 107290047
(2R)-2-(3-bromophenyl)-2-fluoropropan-1-ol
CID 142383072
1-amino-1-(3-bromophenyl)propan-1-ol
CID 141222959
3-(3-bromophenyl)pentan-3-ol
CID 57443482
3-amino-2-(3,5-dimethylphenyl)-1,1,1-trifluoropropan-2-ol
CID 63083089
1-(3-bromophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 62787446
2-(3-bromophenyl)-2,2-difluoroacetic acid
CID 28740330
(2S)-2-amino-2-(3-bromophenyl)propan-1-ol
CID 66931490
azane;1-bromo-3-(trifluoromethyl)benzene;carbonic acid
CID 175115422
1-bromo-3-[2-(3-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene;1-bromo-4-[2-(4-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene
CID 161183668

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3-bromophenyl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-amino-2-(3-bromophenyl)-1,1,1-trifluoropropan-2-ol (CID 84739096) is 3-amino-2-(3-bromophenyl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-amino-2-(3-bromophenyl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-amino-2-(3-bromophenyl)-1,1,1-trifluoropropan-2-ol is NCC(O)(c1cccc(Br)c1)C(F)(F)F.
What is the InChIKey of 3-amino-2-(3-bromophenyl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is JIVGENADPYCTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF3NO/c10-7-3-1-2-6(4-7)8(15,5-14)9(11,12)13/h1-4,15H,5,14H2.
What are the key properties of 3-amino-2-(3-bromophenyl)-1,1,1-trifluoropropan-2-ol?
3-amino-2-(3-bromophenyl)-1,1,1-trifluoropropan-2-ol has a molecular weight of 284.07 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3-bromophenyl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 84739096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).