(1R)-2-azido-1-(3,5-dichloro-2-fluorophenyl)ethanol

C8H6Cl2FN3O — CID 165499072

IUPAC(1R)-2-azido-1-(3,5-dichloro-2-fluorophenyl)ethanol
SMILES[N-]=[N+]=NC[C@H](O)c1cc(Cl)cc(Cl)c1F
InChIInChI=1S/C8H6Cl2FN3O/c9-4-1-5(7(15)3-13-14-12)8(11)6(10)2-4/h1-2,7,15H,3H2/t7-/m0/s1
InChIKeyRWTWZYFORWOEBW-ZETCQYMHSA-N
MW250.06 g/mol
LogP3.48
Rot. Bonds3

About (1R)-2-azido-1-(3,5-dichloro-2-fluorophenyl)ethanol

(1R)-2-azido-1-(3,5-dichloro-2-fluorophenyl)ethanol (PubChem CID 165499072) has the molecular formula C8H6Cl2FN3O and a molecular weight of 250.06 g/mol. Its IUPAC name is (1R)-2-azido-1-(3,5-dichloro-2-fluorophenyl)ethanol.

Molecular Properties

Compound Name(1R)-2-azido-1-(3,5-dichloro-2-fluorophenyl)ethanol
PubChem CID165499072
Molecular FormulaC8H6Cl2FN3O
Molecular Weight250.06 g/mol
Exact Mass248.99
IUPAC Name(1R)-2-azido-1-(3,5-dichloro-2-fluorophenyl)ethanol
SMILES[N-]=[N+]=NC[C@H](O)c1cc(Cl)cc(Cl)c1F
InChIInChI=1S/C8H6Cl2FN3O/c9-4-1-5(7(15)3-13-14-12)8(11)6(10)2-4/h1-2,7,15H,3H2/t7-/m0/s1
InChIKeyRWTWZYFORWOEBW-ZETCQYMHSA-N
XLogP3.48
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.06
LogP ≤ 53.48
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': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(1R)-2-azido-1-(3-chloro-4-fluorophenyl)ethanol
CID 83093429
2-azido-1-(2,5-difluorophenyl)ethanol
CID 80503360
3-azido-1-(3,5-dichloro-4-fluorophenyl)propane-1,2-diol
CID 170825846
3-azido-1-(2,5-dichloro-3-fluorophenyl)propane-1,2-diol
CID 170825838
3-azido-1-(4-chloro-2,6-difluorophenyl)propane-1,2-diol
CID 170827235
(1S)-2-azido-1-(3-chlorophenyl)ethanol
CID 59761679
1-(2-amino-5-chlorophenyl)-3-azidopropane-1,2-diol
CID 170825722
1,5-dichloro-2-fluoro-3-propan-2-ylbenzene
CID 118361843
2-azido-1-(3-fluorophenyl)ethanol
CID 83093254
2-(azidomethyl)-1,3,5-trichlorobenzene
CID 151190650
2-azido-1-(3-chloro-5-fluorophenyl)ethanamine
CID 175160008
1-(3,5-dichloro-2-fluorophenyl)ethane-1,2-diamine
CID 77131124

Frequently Asked Questions

What is the IUPAC name of (1R)-2-azido-1-(3,5-dichloro-2-fluorophenyl)ethanol?
The IUPAC name of (1R)-2-azido-1-(3,5-dichloro-2-fluorophenyl)ethanol (CID 165499072) is (1R)-2-azido-1-(3,5-dichloro-2-fluorophenyl)ethanol.
What is the SMILES notation for (1R)-2-azido-1-(3,5-dichloro-2-fluorophenyl)ethanol?
The canonical SMILES for (1R)-2-azido-1-(3,5-dichloro-2-fluorophenyl)ethanol is [N-]=[N+]=NC[C@H](O)c1cc(Cl)cc(Cl)c1F.
What is the InChIKey of (1R)-2-azido-1-(3,5-dichloro-2-fluorophenyl)ethanol?
The InChIKey is RWTWZYFORWOEBW-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H6Cl2FN3O/c9-4-1-5(7(15)3-13-14-12)8(11)6(10)2-4/h1-2,7,15H,3H2/t7-/m0/s1.
What are the key properties of (1R)-2-azido-1-(3,5-dichloro-2-fluorophenyl)ethanol?
(1R)-2-azido-1-(3,5-dichloro-2-fluorophenyl)ethanol has a molecular weight of 250.06 g/mol, XLogP of 3.48, 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-(3,5-dichloro-2-fluorophenyl)ethanol is sourced from PubChem (CID 165499072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).