(1R)-2-azido-1-(3-chloro-4-fluorophenyl)ethanol

C8H7ClFN3O — CID 83093429

IUPAC(1R)-2-azido-1-(3-chloro-4-fluorophenyl)ethanol
SMILES[N-]=[N+]=NC[C@H](O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C8H7ClFN3O/c9-6-3-5(1-2-7(6)10)8(14)4-12-13-11/h1-3,8,14H,4H2/t8-/m0/s1
InChIKeyWTQLNYCJSFWHCR-QMMMGPOBSA-N
MW215.62 g/mol
LogP2.82
Rot. Bonds3

About (1R)-2-azido-1-(3-chloro-4-fluorophenyl)ethanol

(1R)-2-azido-1-(3-chloro-4-fluorophenyl)ethanol (PubChem CID 83093429) has the molecular formula C8H7ClFN3O and a molecular weight of 215.62 g/mol. Its IUPAC name is (1R)-2-azido-1-(3-chloro-4-fluorophenyl)ethanol.

Molecular Properties

Compound Name(1R)-2-azido-1-(3-chloro-4-fluorophenyl)ethanol
PubChem CID83093429
Molecular FormulaC8H7ClFN3O
Molecular Weight215.62 g/mol
Exact Mass215.03
IUPAC Name(1R)-2-azido-1-(3-chloro-4-fluorophenyl)ethanol
SMILES[N-]=[N+]=NC[C@H](O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C8H7ClFN3O/c9-6-3-5(1-2-7(6)10)8(14)4-12-13-11/h1-3,8,14H,4H2/t8-/m0/s1
InChIKeyWTQLNYCJSFWHCR-QMMMGPOBSA-N
XLogP2.82
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.62
LogP ≤ 52.82
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'}

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Related Compounds

(1R)-2-azido-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 83093152
2-azido-1-(3-fluorophenyl)ethanol
CID 83093254
(1S)-2-bromo-1-(3-chloro-4-fluorophenyl)ethanol
CID 83001730
(1R)-2-azido-1-(3,5-dichloro-2-fluorophenyl)ethanol
CID 165499072
(1S)-3-amino-1-(3-chloro-4-fluorophenyl)propan-1-ol
CID 96845808
2-azido-1-(2,5-difluorophenyl)ethanol
CID 80503360
4-(2-azido-1-hydroxyethyl)phenol
CID 102442707
2-(2-azidoethylamino)-2-(3-chloro-4-fluorophenyl)acetic acid
CID 81144933
3-azido-1-(3,5-dichloro-4-fluorophenyl)propane-1,2-diol
CID 170825846
3-(3-chloro-4-fluorophenyl)-3-hydroxypropanal
CID 114795328
(1R)-1-(3-chloro-4-fluorophenyl)but-3-en-1-ol
CID 95011857
4-[(1R)-2-azido-1-hydroxyethyl]-2-(hydroxymethyl)phenol
CID 150755618

Frequently Asked Questions

What is the IUPAC name of (1R)-2-azido-1-(3-chloro-4-fluorophenyl)ethanol?
The IUPAC name of (1R)-2-azido-1-(3-chloro-4-fluorophenyl)ethanol (CID 83093429) is (1R)-2-azido-1-(3-chloro-4-fluorophenyl)ethanol.
What is the SMILES notation for (1R)-2-azido-1-(3-chloro-4-fluorophenyl)ethanol?
The canonical SMILES for (1R)-2-azido-1-(3-chloro-4-fluorophenyl)ethanol is [N-]=[N+]=NC[C@H](O)c1ccc(F)c(Cl)c1.
What is the InChIKey of (1R)-2-azido-1-(3-chloro-4-fluorophenyl)ethanol?
The InChIKey is WTQLNYCJSFWHCR-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H7ClFN3O/c9-6-3-5(1-2-7(6)10)8(14)4-12-13-11/h1-3,8,14H,4H2/t8-/m0/s1.
What are the key properties of (1R)-2-azido-1-(3-chloro-4-fluorophenyl)ethanol?
(1R)-2-azido-1-(3-chloro-4-fluorophenyl)ethanol has a molecular weight of 215.62 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-azido-1-(3-chloro-4-fluorophenyl)ethanol is sourced from PubChem (CID 83093429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).