(4-fluoro-3-nitrophenyl)-methoxymethanol

C8H8FNO4 — CID 174484275

IUPAC(4-fluoro-3-nitrophenyl)-methoxymethanol
SMILESCOC(O)c1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C8H8FNO4/c1-14-8(11)5-2-3-6(9)7(4-5)10(12)13/h2-4,8,11H,1H3
InChIKeyPSIGAVKHJRCOFH-UHFFFAOYSA-N
MW201.15 g/mol
LogP1.37
Rot. Bonds3

About (4-fluoro-3-nitrophenyl)-methoxymethanol

(4-fluoro-3-nitrophenyl)-methoxymethanol (PubChem CID 174484275) has the molecular formula C8H8FNO4 and a molecular weight of 201.15 g/mol. Its IUPAC name is (4-fluoro-3-nitrophenyl)-methoxymethanol.

Molecular Properties

Compound Name(4-fluoro-3-nitrophenyl)-methoxymethanol
PubChem CID174484275
Molecular FormulaC8H8FNO4
Molecular Weight201.15 g/mol
Exact Mass201.04
IUPAC Name(4-fluoro-3-nitrophenyl)-methoxymethanol
SMILESCOC(O)c1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C8H8FNO4/c1-14-8(11)5-2-3-6(9)7(4-5)10(12)13/h2-4,8,11H,1H3
InChIKeyPSIGAVKHJRCOFH-UHFFFAOYSA-N
XLogP1.37
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.15
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(4-fluoro-3-nitrophenyl)-2-hydroxyacetic acid
CID 131433935
1-(4-fluoro-3-nitrophenyl)ethanamine
CID 55283100
1-(4-fluoro-3-nitrophenyl)ethyl acetate
CID 175007051
(1S)-1-(4-fluoro-3-nitrophenyl)-2,2-dimethylpropan-1-amine
CID 131625230
3-[bis(2-methoxyethyl)amino]-1-(4-fluoro-3-nitrophenyl)propan-1-ol
CID 110830686
(3S)-3-(4-fluoro-3-nitrophenyl)-3-hydroxypropanoic acid
CID 95997423
1-(4-fluoro-3-nitrophenyl)propan-1-amine
CID 55272353
(3S)-3-amino-3-(4-fluoro-3-nitrophenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171248708
(3-amino-4-fluorophenyl)-methoxymethanol
CID 123185481
4-fluoro-N-methoxy-3-nitroaniline
CID 154020303
(2R)-2-amino-2-(4-fluoro-3-nitrophenyl)ethanol;hydrochloride
CID 171226598
(1R)-1-(4-fluoro-3-nitrophenyl)butane-1,4-diamine
CID 171206979

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-nitrophenyl)-methoxymethanol?
The IUPAC name of (4-fluoro-3-nitrophenyl)-methoxymethanol (CID 174484275) is (4-fluoro-3-nitrophenyl)-methoxymethanol.
What is the SMILES notation for (4-fluoro-3-nitrophenyl)-methoxymethanol?
The canonical SMILES for (4-fluoro-3-nitrophenyl)-methoxymethanol is COC(O)c1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of (4-fluoro-3-nitrophenyl)-methoxymethanol?
The InChIKey is PSIGAVKHJRCOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO4/c1-14-8(11)5-2-3-6(9)7(4-5)10(12)13/h2-4,8,11H,1H3.
What are the key properties of (4-fluoro-3-nitrophenyl)-methoxymethanol?
(4-fluoro-3-nitrophenyl)-methoxymethanol has a molecular weight of 201.15 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-nitrophenyl)-methoxymethanol is sourced from PubChem (CID 174484275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).