(1R)-1-(2,5-difluorophenyl)-2-nitroethanol

C8H7F2NO3 — CID 118683885

IUPAC(1R)-1-(2,5-difluorophenyl)-2-nitroethanol
SMILESO=[N+]([O-])C[C@H](O)c1cc(F)ccc1F
InChIInChI=1S/C8H7F2NO3/c9-5-1-2-7(10)6(3-5)8(12)4-11(13)14/h1-3,8,12H,4H2/t8-/m0/s1
InChIKeyLIBKYHGGPPAWSM-QMMMGPOBSA-N
MW203.14 g/mol
LogP1.27
Rot. Bonds3

About (1R)-1-(2,5-difluorophenyl)-2-nitroethanol

(1R)-1-(2,5-difluorophenyl)-2-nitroethanol (PubChem CID 118683885) has the molecular formula C8H7F2NO3 and a molecular weight of 203.14 g/mol. Its IUPAC name is (1R)-1-(2,5-difluorophenyl)-2-nitroethanol.

Molecular Properties

Compound Name(1R)-1-(2,5-difluorophenyl)-2-nitroethanol
PubChem CID118683885
Molecular FormulaC8H7F2NO3
Molecular Weight203.14 g/mol
Exact Mass203.04
IUPAC Name(1R)-1-(2,5-difluorophenyl)-2-nitroethanol
SMILESO=[N+]([O-])C[C@H](O)c1cc(F)ccc1F
InChIInChI=1S/C8H7F2NO3/c9-5-1-2-7(10)6(3-5)8(12)4-11(13)14/h1-3,8,12H,4H2/t8-/m0/s1
InChIKeyLIBKYHGGPPAWSM-QMMMGPOBSA-N
XLogP1.27
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.14
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1R)-1-(2,5-difluorophenyl)-2-nitroethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,5-difluorophenyl)-2-nitroethanol?
The IUPAC name of (1R)-1-(2,5-difluorophenyl)-2-nitroethanol (CID 118683885) is (1R)-1-(2,5-difluorophenyl)-2-nitroethanol.
What is the SMILES notation for (1R)-1-(2,5-difluorophenyl)-2-nitroethanol?
The canonical SMILES for (1R)-1-(2,5-difluorophenyl)-2-nitroethanol is O=[N+]([O-])C[C@H](O)c1cc(F)ccc1F.
What is the InChIKey of (1R)-1-(2,5-difluorophenyl)-2-nitroethanol?
The InChIKey is LIBKYHGGPPAWSM-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H7F2NO3/c9-5-1-2-7(10)6(3-5)8(12)4-11(13)14/h1-3,8,12H,4H2/t8-/m0/s1.
What are the key properties of (1R)-1-(2,5-difluorophenyl)-2-nitroethanol?
(1R)-1-(2,5-difluorophenyl)-2-nitroethanol has a molecular weight of 203.14 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,5-difluorophenyl)-2-nitroethanol is sourced from PubChem (CID 118683885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).