1-[5-fluoro-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-3-(2-methoxyethoxy)propan-2-ol

C14H20FNO5 — CID 106990921

IUPAC1-[5-fluoro-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-3-(2-methoxyethoxy)propan-2-ol
SMILESCOCCOCC(O)COc1cc(F)ccc1/C(C)=N/O
InChIInChI=1S/C14H20FNO5/c1-10(16-18)13-4-3-11(15)7-14(13)21-9-12(17)8-20-6-5-19-2/h3-4,7,12,17-18H,5-6,8-9H2,1-2H3/b16-10+
InChIKeyCFBSUXUJZRZHDZ-MHWRWJLKSA-N
MW301.31 g/mol
LogP1.43
Rot. Bonds9

About 1-[5-fluoro-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-3-(2-methoxyethoxy)propan-2-ol

1-[5-fluoro-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-3-(2-methoxyethoxy)propan-2-ol (PubChem CID 106990921) has the molecular formula C14H20FNO5 and a molecular weight of 301.31 g/mol. Its IUPAC name is 1-[5-fluoro-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-3-(2-methoxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[5-fluoro-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-3-(2-methoxyethoxy)propan-2-ol
PubChem CID106990921
Molecular FormulaC14H20FNO5
Molecular Weight301.31 g/mol
Exact Mass301.13
IUPAC Name1-[5-fluoro-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-3-(2-methoxyethoxy)propan-2-ol
SMILESCOCCOCC(O)COc1cc(F)ccc1/C(C)=N/O
InChIInChI=1S/C14H20FNO5/c1-10(16-18)13-4-3-11(15)7-14(13)21-9-12(17)8-20-6-5-19-2/h3-4,7,12,17-18H,5-6,8-9H2,1-2H3/b16-10+
InChIKeyCFBSUXUJZRZHDZ-MHWRWJLKSA-N
XLogP1.43
TPSA80.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 1-[5-fluoro-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-3-(2-methoxyethoxy)propan-2-ol?
The IUPAC name of 1-[5-fluoro-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-3-(2-methoxyethoxy)propan-2-ol (CID 106990921) is 1-[5-fluoro-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-3-(2-methoxyethoxy)propan-2-ol.
What is the SMILES notation for 1-[5-fluoro-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-3-(2-methoxyethoxy)propan-2-ol?
The canonical SMILES for 1-[5-fluoro-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-3-(2-methoxyethoxy)propan-2-ol is COCCOCC(O)COc1cc(F)ccc1/C(C)=N/O.
What is the InChIKey of 1-[5-fluoro-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-3-(2-methoxyethoxy)propan-2-ol?
The InChIKey is CFBSUXUJZRZHDZ-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H20FNO5/c1-10(16-18)13-4-3-11(15)7-14(13)21-9-12(17)8-20-6-5-19-2/h3-4,7,12,17-18H,5-6,8-9H2,1-2H3/b16-10+.
What are the key properties of 1-[5-fluoro-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-3-(2-methoxyethoxy)propan-2-ol?
1-[5-fluoro-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-3-(2-methoxyethoxy)propan-2-ol has a molecular weight of 301.31 g/mol, XLogP of 1.43, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-3-(2-methoxyethoxy)propan-2-ol is sourced from PubChem (CID 106990921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).