(1R)-1-[3-fluoro-4-(5-fluoro-2-nitrophenoxy)phenyl]ethanol

C14H11F2NO4 — CID 63374590

IUPAC(1R)-1-[3-fluoro-4-(5-fluoro-2-nitrophenoxy)phenyl]ethanol
SMILESC[C@@H](O)c1ccc(Oc2cc(F)ccc2[N+](=O)[O-])c(F)c1
InChIInChI=1S/C14H11F2NO4/c1-8(18)9-2-5-13(11(16)6-9)21-14-7-10(15)3-4-12(14)17(19)20/h2-8,18H,1H3/t8-/m1/s1
InChIKeyBZOALWYKDNSJNR-MRVPVSSYSA-N
MW295.24 g/mol
LogP3.72
Rot. Bonds4

About (1R)-1-[3-fluoro-4-(5-fluoro-2-nitrophenoxy)phenyl]ethanol

(1R)-1-[3-fluoro-4-(5-fluoro-2-nitrophenoxy)phenyl]ethanol (PubChem CID 63374590) has the molecular formula C14H11F2NO4 and a molecular weight of 295.24 g/mol. Its IUPAC name is (1R)-1-[3-fluoro-4-(5-fluoro-2-nitrophenoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[3-fluoro-4-(5-fluoro-2-nitrophenoxy)phenyl]ethanol
PubChem CID63374590
Molecular FormulaC14H11F2NO4
Molecular Weight295.24 g/mol
Exact Mass295.07
IUPAC Name(1R)-1-[3-fluoro-4-(5-fluoro-2-nitrophenoxy)phenyl]ethanol
SMILESC[C@@H](O)c1ccc(Oc2cc(F)ccc2[N+](=O)[O-])c(F)c1
InChIInChI=1S/C14H11F2NO4/c1-8(18)9-2-5-13(11(16)6-9)21-14-7-10(15)3-4-12(14)17(19)20/h2-8,18H,1H3/t8-/m1/s1
InChIKeyBZOALWYKDNSJNR-MRVPVSSYSA-N
XLogP3.72
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.24
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

(1S)-1-[4-(4-chloro-2-nitrophenoxy)-3-fluorophenyl]ethanol
CID 78938627
1-[3-fluoro-4-(2-fluoro-4-nitrophenoxy)phenyl]ethanol
CID 61038214
(1S)-1-[4-(4-bromo-2-nitrophenoxy)-3-fluorophenyl]ethanol
CID 65430184
1-[3-fluoro-4-(4-fluoro-2-nitrophenoxy)phenyl]ethanamine
CID 62367686
(1R)-1-[3-fluoro-4-(4-fluoro-2-nitrophenoxy)phenyl]ethanamine
CID 63369894
1-[4-(2-chloro-4-nitrophenoxy)-3-fluorophenyl]ethanol
CID 61030672
(1R)-1-[3-fluoro-4-(2-methyl-5-nitrophenoxy)phenyl]ethanol
CID 63374956
(1R)-1-[3-fluoro-4-(2-nitrophenoxy)phenyl]ethanamine
CID 63370152
(1S)-1-[3-bromo-4-(5-fluoro-2-nitrophenoxy)phenyl]ethanamine
CID 63369927
(1R)-1-[4-(2-bromo-5-nitrophenoxy)-3-fluorophenyl]ethanol
CID 103010836
(1R)-1-[3-fluoro-4-(2-fluorophenoxy)phenyl]ethanol
CID 78941573
(1S)-1-[5-fluoro-2-(2-nitrophenoxy)phenyl]ethanol
CID 78941827

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-fluoro-4-(5-fluoro-2-nitrophenoxy)phenyl]ethanol?
The IUPAC name of (1R)-1-[3-fluoro-4-(5-fluoro-2-nitrophenoxy)phenyl]ethanol (CID 63374590) is (1R)-1-[3-fluoro-4-(5-fluoro-2-nitrophenoxy)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[3-fluoro-4-(5-fluoro-2-nitrophenoxy)phenyl]ethanol?
The canonical SMILES for (1R)-1-[3-fluoro-4-(5-fluoro-2-nitrophenoxy)phenyl]ethanol is C[C@@H](O)c1ccc(Oc2cc(F)ccc2[N+](=O)[O-])c(F)c1.
What is the InChIKey of (1R)-1-[3-fluoro-4-(5-fluoro-2-nitrophenoxy)phenyl]ethanol?
The InChIKey is BZOALWYKDNSJNR-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H11F2NO4/c1-8(18)9-2-5-13(11(16)6-9)21-14-7-10(15)3-4-12(14)17(19)20/h2-8,18H,1H3/t8-/m1/s1.
What are the key properties of (1R)-1-[3-fluoro-4-(5-fluoro-2-nitrophenoxy)phenyl]ethanol?
(1R)-1-[3-fluoro-4-(5-fluoro-2-nitrophenoxy)phenyl]ethanol has a molecular weight of 295.24 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-fluoro-4-(5-fluoro-2-nitrophenoxy)phenyl]ethanol is sourced from PubChem (CID 63374590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).