3-fluoro-2-hydroxy-5-(1,2,3-trihydroxypropyl)benzaldehyde

C10H11FO5 — CID 170818118

IUPAC3-fluoro-2-hydroxy-5-(1,2,3-trihydroxypropyl)benzaldehyde
SMILESO=Cc1cc(C(O)C(O)CO)cc(F)c1O
InChIInChI=1S/C10H11FO5/c11-7-2-5(10(16)8(14)4-13)1-6(3-12)9(7)15/h1-3,8,10,13-16H,4H2
InChIKeyWQDVVMVJQGKVLI-UHFFFAOYSA-N
MW230.19 g/mol
LogP-0.27
Rot. Bonds4

About 3-fluoro-2-hydroxy-5-(1,2,3-trihydroxypropyl)benzaldehyde

3-fluoro-2-hydroxy-5-(1,2,3-trihydroxypropyl)benzaldehyde (PubChem CID 170818118) has the molecular formula C10H11FO5 and a molecular weight of 230.19 g/mol. Its IUPAC name is 3-fluoro-2-hydroxy-5-(1,2,3-trihydroxypropyl)benzaldehyde.

Molecular Properties

Compound Name3-fluoro-2-hydroxy-5-(1,2,3-trihydroxypropyl)benzaldehyde
PubChem CID170818118
Molecular FormulaC10H11FO5
Molecular Weight230.19 g/mol
Exact Mass230.06
IUPAC Name3-fluoro-2-hydroxy-5-(1,2,3-trihydroxypropyl)benzaldehyde
SMILESO=Cc1cc(C(O)C(O)CO)cc(F)c1O
InChIInChI=1S/C10H11FO5/c11-7-2-5(10(16)8(14)4-13)1-6(3-12)9(7)15/h1-3,8,10,13-16H,4H2
InChIKeyWQDVVMVJQGKVLI-UHFFFAOYSA-N
XLogP-0.27
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 5-0.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-hydroxy-5-(1,2,3-trihydroxypropyl)benzaldehyde?
The IUPAC name of 3-fluoro-2-hydroxy-5-(1,2,3-trihydroxypropyl)benzaldehyde (CID 170818118) is 3-fluoro-2-hydroxy-5-(1,2,3-trihydroxypropyl)benzaldehyde.
What is the SMILES notation for 3-fluoro-2-hydroxy-5-(1,2,3-trihydroxypropyl)benzaldehyde?
The canonical SMILES for 3-fluoro-2-hydroxy-5-(1,2,3-trihydroxypropyl)benzaldehyde is O=Cc1cc(C(O)C(O)CO)cc(F)c1O.
What is the InChIKey of 3-fluoro-2-hydroxy-5-(1,2,3-trihydroxypropyl)benzaldehyde?
The InChIKey is WQDVVMVJQGKVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO5/c11-7-2-5(10(16)8(14)4-13)1-6(3-12)9(7)15/h1-3,8,10,13-16H,4H2.
What are the key properties of 3-fluoro-2-hydroxy-5-(1,2,3-trihydroxypropyl)benzaldehyde?
3-fluoro-2-hydroxy-5-(1,2,3-trihydroxypropyl)benzaldehyde has a molecular weight of 230.19 g/mol, XLogP of -0.27, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-hydroxy-5-(1,2,3-trihydroxypropyl)benzaldehyde is sourced from PubChem (CID 170818118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).