2-fluoro-4-(1,2,3-trihydroxypropyl)benzaldehyde

C10H11FO4 — CID 170817775

IUPAC2-fluoro-4-(1,2,3-trihydroxypropyl)benzaldehyde
SMILESO=Cc1ccc(C(O)C(O)CO)cc1F
InChIInChI=1S/C10H11FO4/c11-8-3-6(1-2-7(8)4-12)10(15)9(14)5-13/h1-4,9-10,13-15H,5H2
InChIKeyCSVOWWCITUSRHC-UHFFFAOYSA-N
MW214.19 g/mol
LogP0.02
Rot. Bonds4

About 2-fluoro-4-(1,2,3-trihydroxypropyl)benzaldehyde

2-fluoro-4-(1,2,3-trihydroxypropyl)benzaldehyde (PubChem CID 170817775) has the molecular formula C10H11FO4 and a molecular weight of 214.19 g/mol. Its IUPAC name is 2-fluoro-4-(1,2,3-trihydroxypropyl)benzaldehyde.

Molecular Properties

Compound Name2-fluoro-4-(1,2,3-trihydroxypropyl)benzaldehyde
PubChem CID170817775
Molecular FormulaC10H11FO4
Molecular Weight214.19 g/mol
Exact Mass214.06
IUPAC Name2-fluoro-4-(1,2,3-trihydroxypropyl)benzaldehyde
SMILESO=Cc1ccc(C(O)C(O)CO)cc1F
InChIInChI=1S/C10H11FO4/c11-8-3-6(1-2-7(8)4-12)10(15)9(14)5-13/h1-4,9-10,13-15H,5H2
InChIKeyCSVOWWCITUSRHC-UHFFFAOYSA-N
XLogP0.02
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3-bromo-1,2-dihydroxypropyl)-2-fluorobenzaldehyde
CID 171859899
4-(3-fluoro-4-formylphenyl)-3,4-dihydroxybutanenitrile
CID 171900883
methyl 4-(3-fluoro-4-formylphenyl)-3,4-dihydroxybutanoate
CID 171895507
2-chloro-5-(1,2,3-trihydroxypropyl)benzaldehyde
CID 170817757
1-[3-fluoro-4-(trifluoromethyl)phenyl]propane-1,2,3-triol
CID 170818370
4-(3-chloro-1,2-dihydroxypropyl)-2-methylbenzaldehyde
CID 171861974
1-(2-methyl-3H-benzimidazol-5-yl)propane-1,2,3-triol
CID 170818053
1-(3,5-difluorophenyl)propane-1,2,3-triol
CID 170817451
4-(4-amino-1,2-dihydroxybutyl)-2,5-difluorobenzaldehyde
CID 171881608
N-[4-(1,2,3-trihydroxypropyl)phenyl]formamide
CID 168654124
4-[4-formyl-3-(trifluoromethyl)phenyl]-3,4-dihydroxybutanamide
CID 171900047
4-[1,2-dihydroxy-3-(methylamino)propyl]-2-(trifluoromethyl)benzaldehyde
CID 171858811

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(1,2,3-trihydroxypropyl)benzaldehyde?
The IUPAC name of 2-fluoro-4-(1,2,3-trihydroxypropyl)benzaldehyde (CID 170817775) is 2-fluoro-4-(1,2,3-trihydroxypropyl)benzaldehyde.
What is the SMILES notation for 2-fluoro-4-(1,2,3-trihydroxypropyl)benzaldehyde?
The canonical SMILES for 2-fluoro-4-(1,2,3-trihydroxypropyl)benzaldehyde is O=Cc1ccc(C(O)C(O)CO)cc1F.
What is the InChIKey of 2-fluoro-4-(1,2,3-trihydroxypropyl)benzaldehyde?
The InChIKey is CSVOWWCITUSRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO4/c11-8-3-6(1-2-7(8)4-12)10(15)9(14)5-13/h1-4,9-10,13-15H,5H2.
What are the key properties of 2-fluoro-4-(1,2,3-trihydroxypropyl)benzaldehyde?
2-fluoro-4-(1,2,3-trihydroxypropyl)benzaldehyde has a molecular weight of 214.19 g/mol, XLogP of 0.02, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(1,2,3-trihydroxypropyl)benzaldehyde is sourced from PubChem (CID 170817775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).