(2R)-3-azido-2-(4-bromophenyl)-1,1,1-trifluoropropan-2-ol

C9H7BrF3N3O — CID 102044510

IUPAC(2R)-3-azido-2-(4-bromophenyl)-1,1,1-trifluoropropan-2-ol
SMILES[N-]=[N+]=NC[C@](O)(c1ccc(Br)cc1)C(F)(F)F
InChIInChI=1S/C9H7BrF3N3O/c10-7-3-1-6(2-4-7)8(17,5-15-16-14)9(11,12)13/h1-4,17H,5H2/t8-/m0/s1
InChIKeyRDRKNFVQEGGQHN-QMMMGPOBSA-N
MW310.07 g/mol
LogP3.51
Rot. Bonds3

About (2R)-3-azido-2-(4-bromophenyl)-1,1,1-trifluoropropan-2-ol

(2R)-3-azido-2-(4-bromophenyl)-1,1,1-trifluoropropan-2-ol (PubChem CID 102044510) has the molecular formula C9H7BrF3N3O and a molecular weight of 310.07 g/mol. Its IUPAC name is (2R)-3-azido-2-(4-bromophenyl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name(2R)-3-azido-2-(4-bromophenyl)-1,1,1-trifluoropropan-2-ol
PubChem CID102044510
Molecular FormulaC9H7BrF3N3O
Molecular Weight310.07 g/mol
Exact Mass308.97
IUPAC Name(2R)-3-azido-2-(4-bromophenyl)-1,1,1-trifluoropropan-2-ol
SMILES[N-]=[N+]=NC[C@](O)(c1ccc(Br)cc1)C(F)(F)F
InChIInChI=1S/C9H7BrF3N3O/c10-7-3-1-6(2-4-7)8(17,5-15-16-14)9(11,12)13/h1-4,17H,5H2/t8-/m0/s1
InChIKeyRDRKNFVQEGGQHN-QMMMGPOBSA-N
XLogP3.51
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.07
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze (2R)-3-azido-2-(4-bromophenyl)-1,1,1-trifluoropropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-Bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 23233570
2-(4-Bromophenyl)-1,1,1-trifluoropropan-2-ol
CID 58347290
(R)-alpha-Methyl-alpha-(trifluoromethyl)-4-bromobenzenemethanol
CID 25129233
2-(4-Bromophenyl)-4,4,4-trifluorobutan-2-ol
CID 69266671
(2R)-2-(4-bromophenyl)-1,1,1-trifluorobutan-2-ol
CID 102382269
(R)-2-(4-bromophenyl)-1,1,1-trifluoropent-4-en-2-ol
CID 118988119
2-(4-Bromophenyl)-1,1,1-trifluoro-3-nitropropan-2-ol
CID 134965090
2-Azido-1-(4-bromophenyl)ethan-1-ol
CID 11139280
1-Amino-2-(4-bromophenyl)butan-2-ol
CID 62772606
1-Amino-2-(2-bromophenyl)propan-2-ol
CID 12474010
1-(4-Bromophenyl)-2,2,3,3,4,4,5,5-octafluorocyclopentan-1-ol
CID 15702483
3-Azido-1,1,1-trifluoro-2-(2-methylphenyl)propan-2-ol
CID 21018273

Frequently Asked Questions

What is the IUPAC name of (2R)-3-azido-2-(4-bromophenyl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of (2R)-3-azido-2-(4-bromophenyl)-1,1,1-trifluoropropan-2-ol (CID 102044510) is (2R)-3-azido-2-(4-bromophenyl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for (2R)-3-azido-2-(4-bromophenyl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for (2R)-3-azido-2-(4-bromophenyl)-1,1,1-trifluoropropan-2-ol is [N-]=[N+]=NC[C@](O)(c1ccc(Br)cc1)C(F)(F)F.
What is the InChIKey of (2R)-3-azido-2-(4-bromophenyl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is RDRKNFVQEGGQHN-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H7BrF3N3O/c10-7-3-1-6(2-4-7)8(17,5-15-16-14)9(11,12)13/h1-4,17H,5H2/t8-/m0/s1.
What are the key properties of (2R)-3-azido-2-(4-bromophenyl)-1,1,1-trifluoropropan-2-ol?
(2R)-3-azido-2-(4-bromophenyl)-1,1,1-trifluoropropan-2-ol has a molecular weight of 310.07 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-azido-2-(4-bromophenyl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 102044510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).