(1S,2R)-1-(2-fluorophenyl)-2-nitropropan-1-ol

C9H10FNO3 — CID 42633057

IUPAC(1S,2R)-1-(2-fluorophenyl)-2-nitropropan-1-ol
SMILESC[C@H]([C@@H](O)c1ccccc1F)[N+](=O)[O-]
InChIInChI=1S/C9H10FNO3/c1-6(11(13)14)9(12)7-4-2-3-5-8(7)10/h2-6,9,12H,1H3/t6-,9-/m1/s1
InChIKeyZEOLJLDCYNVQTL-HZGVNTEJSA-N
MW199.18 g/mol
LogP1.52
Rot. Bonds3

About (1S,2R)-1-(2-fluorophenyl)-2-nitropropan-1-ol

(1S,2R)-1-(2-fluorophenyl)-2-nitropropan-1-ol (PubChem CID 42633057) has the molecular formula C9H10FNO3 and a molecular weight of 199.18 g/mol. Its IUPAC name is (1S,2R)-1-(2-fluorophenyl)-2-nitropropan-1-ol.

Molecular Properties

Compound Name(1S,2R)-1-(2-fluorophenyl)-2-nitropropan-1-ol
PubChem CID42633057
Molecular FormulaC9H10FNO3
Molecular Weight199.18 g/mol
Exact Mass199.06
IUPAC Name(1S,2R)-1-(2-fluorophenyl)-2-nitropropan-1-ol
SMILESC[C@H]([C@@H](O)c1ccccc1F)[N+](=O)[O-]
InChIInChI=1S/C9H10FNO3/c1-6(11(13)14)9(12)7-4-2-3-5-8(7)10/h2-6,9,12H,1H3/t6-,9-/m1/s1
InChIKeyZEOLJLDCYNVQTL-HZGVNTEJSA-N
XLogP1.52
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.18
LogP ≤ 51.52
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'}

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Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-(2-fluorophenyl)-2-nitropropan-1-ol?
The IUPAC name of (1S,2R)-1-(2-fluorophenyl)-2-nitropropan-1-ol (CID 42633057) is (1S,2R)-1-(2-fluorophenyl)-2-nitropropan-1-ol.
What is the SMILES notation for (1S,2R)-1-(2-fluorophenyl)-2-nitropropan-1-ol?
The canonical SMILES for (1S,2R)-1-(2-fluorophenyl)-2-nitropropan-1-ol is C[C@H]([C@@H](O)c1ccccc1F)[N+](=O)[O-].
What is the InChIKey of (1S,2R)-1-(2-fluorophenyl)-2-nitropropan-1-ol?
The InChIKey is ZEOLJLDCYNVQTL-HZGVNTEJSA-N. The full InChI is InChI=1S/C9H10FNO3/c1-6(11(13)14)9(12)7-4-2-3-5-8(7)10/h2-6,9,12H,1H3/t6-,9-/m1/s1.
What are the key properties of (1S,2R)-1-(2-fluorophenyl)-2-nitropropan-1-ol?
(1S,2R)-1-(2-fluorophenyl)-2-nitropropan-1-ol has a molecular weight of 199.18 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-(2-fluorophenyl)-2-nitropropan-1-ol is sourced from PubChem (CID 42633057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).