(1R)-2,2,2-trichloro-1-(3-nitrophenyl)ethanol

C8H6Cl3NO3 — CID 6922856

IUPAC(1R)-2,2,2-trichloro-1-(3-nitrophenyl)ethanol
SMILESO=[N+]([O-])c1cccc([C@@H](O)C(Cl)(Cl)Cl)c1
InChIInChI=1S/C8H6Cl3NO3/c9-8(10,11)7(13)5-2-1-3-6(4-5)12(14)15/h1-4,7,13H/t7-/m1/s1
InChIKeyQTPMEWPNYWDGID-SSDOTTSWSA-N
MW270.50 g/mol
LogP3.00
Rot. Bonds2

About (1R)-2,2,2-trichloro-1-(3-nitrophenyl)ethanol

(1R)-2,2,2-trichloro-1-(3-nitrophenyl)ethanol (PubChem CID 6922856) has the molecular formula C8H6Cl3NO3 and a molecular weight of 270.50 g/mol. Its IUPAC name is (1R)-2,2,2-trichloro-1-(3-nitrophenyl)ethanol.

Molecular Properties

Compound Name(1R)-2,2,2-trichloro-1-(3-nitrophenyl)ethanol
PubChem CID6922856
Molecular FormulaC8H6Cl3NO3
Molecular Weight270.50 g/mol
Exact Mass268.94
IUPAC Name(1R)-2,2,2-trichloro-1-(3-nitrophenyl)ethanol
SMILESO=[N+]([O-])c1cccc([C@@H](O)C(Cl)(Cl)Cl)c1
InChIInChI=1S/C8H6Cl3NO3/c9-8(10,11)7(13)5-2-1-3-6(4-5)12(14)15/h1-4,7,13H/t7-/m1/s1
InChIKeyQTPMEWPNYWDGID-SSDOTTSWSA-N
XLogP3.00
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.50
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(S)-(3-nitrophenyl)-phenylmethanol
CID 15984760
2-hydroxy-2-(3-nitrophenyl)acetate
CID 19968019
3-(3-nitrophenyl)pentane-2,4-diol
CID 10376360
2-bromo-2-methylsulfonyl-1-(3-nitrophenyl)butan-1-ol
CID 102550503
(1S)-2-amino-1-(3-nitrophenyl)ethanol
CID 55264567
(1R)-3,3,3-trifluoro-1-(3-nitrophenyl)propan-1-ol
CID 125489284
(1S,2R)-1-amino-1-(3-nitrophenyl)propan-2-ol
CID 130639568
4-methyl-3-(3-nitrophenyl)pentan-2-ol
CID 56637223
ethane;1-nitro-3-propan-2-ylbenzene
CID 162531562
trichloro-[(1S)-1-(3-nitrophenyl)ethyl]silane
CID 10636842
molecular hydrogen;1-nitro-3-propan-2-ylbenzene
CID 167689608
1-(1-fluoroethyl)-3-nitrobenzene
CID 139245530

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2,2-trichloro-1-(3-nitrophenyl)ethanol?
The IUPAC name of (1R)-2,2,2-trichloro-1-(3-nitrophenyl)ethanol (CID 6922856) is (1R)-2,2,2-trichloro-1-(3-nitrophenyl)ethanol.
What is the SMILES notation for (1R)-2,2,2-trichloro-1-(3-nitrophenyl)ethanol?
The canonical SMILES for (1R)-2,2,2-trichloro-1-(3-nitrophenyl)ethanol is O=[N+]([O-])c1cccc([C@@H](O)C(Cl)(Cl)Cl)c1.
What is the InChIKey of (1R)-2,2,2-trichloro-1-(3-nitrophenyl)ethanol?
The InChIKey is QTPMEWPNYWDGID-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H6Cl3NO3/c9-8(10,11)7(13)5-2-1-3-6(4-5)12(14)15/h1-4,7,13H/t7-/m1/s1.
What are the key properties of (1R)-2,2,2-trichloro-1-(3-nitrophenyl)ethanol?
(1R)-2,2,2-trichloro-1-(3-nitrophenyl)ethanol has a molecular weight of 270.50 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2,2-trichloro-1-(3-nitrophenyl)ethanol is sourced from PubChem (CID 6922856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).