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

C14H11F2NO4 — CID 61038214

IUPAC1-[3-fluoro-4-(2-fluoro-4-nitrophenoxy)phenyl]ethanol
SMILESCC(O)c1ccc(Oc2ccc([N+](=O)[O-])cc2F)c(F)c1
InChIInChI=1S/C14H11F2NO4/c1-8(18)9-2-4-13(11(15)6-9)21-14-5-3-10(17(19)20)7-12(14)16/h2-8,18H,1H3
InChIKeyFZYMJJASKJMASW-UHFFFAOYSA-N
MW295.24 g/mol
LogP3.72
Rot. Bonds4

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

1-[3-fluoro-4-(2-fluoro-4-nitrophenoxy)phenyl]ethanol (PubChem CID 61038214) has the molecular formula C14H11F2NO4 and a molecular weight of 295.24 g/mol. Its IUPAC name is 1-[3-fluoro-4-(2-fluoro-4-nitrophenoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-[3-fluoro-4-(2-fluoro-4-nitrophenoxy)phenyl]ethanol
PubChem CID61038214
Molecular FormulaC14H11F2NO4
Molecular Weight295.24 g/mol
Exact Mass295.07
IUPAC Name1-[3-fluoro-4-(2-fluoro-4-nitrophenoxy)phenyl]ethanol
SMILESCC(O)c1ccc(Oc2ccc([N+](=O)[O-])cc2F)c(F)c1
InChIInChI=1S/C14H11F2NO4/c1-8(18)9-2-4-13(11(15)6-9)21-14-5-3-10(17(19)20)7-12(14)16/h2-8,18H,1H3
InChIKeyFZYMJJASKJMASW-UHFFFAOYSA-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

1-[4-(2-chloro-4-nitrophenoxy)-3-fluorophenyl]ethanol
CID 61030672
(1R)-1-[3-fluoro-4-(2-methyl-5-nitrophenoxy)phenyl]ethanol
CID 63374956
1-[3-bromo-4-(2-fluoro-4-nitrophenoxy)phenyl]ethanol
CID 62911354
(1R)-1-[4-(2-bromo-5-nitrophenoxy)-3-fluorophenyl]ethanol
CID 103010836
(1R)-1-[3-fluoro-4-(5-fluoro-2-nitrophenoxy)phenyl]ethanol
CID 63374590
(1S)-1-[4-(4-chloro-2-nitrophenoxy)-3-fluorophenyl]ethanol
CID 78938627
(1S)-1-[4-(4-bromo-2-nitrophenoxy)-3-fluorophenyl]ethanol
CID 65430184
(1S)-1-[4-(2-fluoro-4-nitrophenoxy)phenyl]ethanamine
CID 63370003
2-(2-fluoro-4-nitrophenoxy)-1-methoxy-4-nitrobenzene
CID 154791901
(1R)-1-[3-fluoro-4-(2-fluorophenoxy)phenyl]ethanol
CID 78941573
2-(2-fluoro-4-nitrophenoxy)phenol
CID 60869522
(1R)-1-[2-fluoro-6-(2-fluoro-4-nitrophenoxy)phenyl]ethanamine
CID 63370027

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(2-fluoro-4-nitrophenoxy)phenyl]ethanol?
The IUPAC name of 1-[3-fluoro-4-(2-fluoro-4-nitrophenoxy)phenyl]ethanol (CID 61038214) is 1-[3-fluoro-4-(2-fluoro-4-nitrophenoxy)phenyl]ethanol.
What is the SMILES notation for 1-[3-fluoro-4-(2-fluoro-4-nitrophenoxy)phenyl]ethanol?
The canonical SMILES for 1-[3-fluoro-4-(2-fluoro-4-nitrophenoxy)phenyl]ethanol is CC(O)c1ccc(Oc2ccc([N+](=O)[O-])cc2F)c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-(2-fluoro-4-nitrophenoxy)phenyl]ethanol?
The InChIKey is FZYMJJASKJMASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO4/c1-8(18)9-2-4-13(11(15)6-9)21-14-5-3-10(17(19)20)7-12(14)16/h2-8,18H,1H3.
What are the key properties of 1-[3-fluoro-4-(2-fluoro-4-nitrophenoxy)phenyl]ethanol?
1-[3-fluoro-4-(2-fluoro-4-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 1-[3-fluoro-4-(2-fluoro-4-nitrophenoxy)phenyl]ethanol is sourced from PubChem (CID 61038214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).