1-(4-fluoro-2-nitrophenoxy)propan-2-ol

C9H10FNO4 — CID 65277245

IUPAC1-(4-fluoro-2-nitrophenoxy)propan-2-ol
SMILESCC(O)COc1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C9H10FNO4/c1-6(12)5-15-9-3-2-7(10)4-8(9)11(13)14/h2-4,6,12H,5H2,1H3
InChIKeyJICRYWGZONMAQR-UHFFFAOYSA-N
MW215.18 g/mol
LogP1.49
Rot. Bonds4

About 1-(4-fluoro-2-nitrophenoxy)propan-2-ol

1-(4-fluoro-2-nitrophenoxy)propan-2-ol (PubChem CID 65277245) has the molecular formula C9H10FNO4 and a molecular weight of 215.18 g/mol. Its IUPAC name is 1-(4-fluoro-2-nitrophenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(4-fluoro-2-nitrophenoxy)propan-2-ol
PubChem CID65277245
Molecular FormulaC9H10FNO4
Molecular Weight215.18 g/mol
Exact Mass215.06
IUPAC Name1-(4-fluoro-2-nitrophenoxy)propan-2-ol
SMILESCC(O)COc1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C9H10FNO4/c1-6(12)5-15-9-3-2-7(10)4-8(9)11(13)14/h2-4,6,12H,5H2,1H3
InChIKeyJICRYWGZONMAQR-UHFFFAOYSA-N
XLogP1.49
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.18
LogP ≤ 51.49
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

(2R)-1-(4-chloro-2-nitrophenoxy)propan-2-ol
CID 106933009
1-(4-fluoro-2-nitrophenoxy)-3-(4-methylphenoxy)propan-2-ol
CID 109415795
ethyl 2-amino-3-(4-fluoro-2-nitrophenoxy)propanoate
CID 62368869
1-(4-fluoro-2-nitrophenoxy)-3-phenylmethoxypropan-2-ol
CID 109415788
(2R)-1-(2-methyl-3-nitrophenoxy)propan-2-ol
CID 106933007
5-(4-fluoro-2-nitrophenoxy)pentan-2-one
CID 62369027
3,3,3-trifluoro-2-[(4-fluoro-2-nitrophenoxy)methyl]propanenitrile
CID 103368387
1-(2-chloro-4-fluorophenoxy)propan-2-ol
CID 65277724
1-(4-fluoro-2-nitrophenoxy)pentan-2-one
CID 62368535
1-(2,5-dimethyl-4-nitrophenoxy)propan-2-ol
CID 65277371
1-(3-bromopropoxy)-4-fluoro-2-nitrobenzene
CID 62368338
1-(2,5-difluorophenyl)-2-(2-nitrophenoxy)ethanol
CID 109412945

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-nitrophenoxy)propan-2-ol?
The IUPAC name of 1-(4-fluoro-2-nitrophenoxy)propan-2-ol (CID 65277245) is 1-(4-fluoro-2-nitrophenoxy)propan-2-ol.
What is the SMILES notation for 1-(4-fluoro-2-nitrophenoxy)propan-2-ol?
The canonical SMILES for 1-(4-fluoro-2-nitrophenoxy)propan-2-ol is CC(O)COc1ccc(F)cc1[N+](=O)[O-].
What is the InChIKey of 1-(4-fluoro-2-nitrophenoxy)propan-2-ol?
The InChIKey is JICRYWGZONMAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO4/c1-6(12)5-15-9-3-2-7(10)4-8(9)11(13)14/h2-4,6,12H,5H2,1H3.
What are the key properties of 1-(4-fluoro-2-nitrophenoxy)propan-2-ol?
1-(4-fluoro-2-nitrophenoxy)propan-2-ol has a molecular weight of 215.18 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-nitrophenoxy)propan-2-ol is sourced from PubChem (CID 65277245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).