2,3-difluoro-6-(hydroxymethyl)benzaldehyde

C8H6F2O2 — CID 169274886

IUPAC2,3-difluoro-6-(hydroxymethyl)benzaldehyde
SMILESO=Cc1c(CO)ccc(F)c1F
InChIInChI=1S/C8H6F2O2/c9-7-2-1-5(3-11)6(4-12)8(7)10/h1-2,4,11H,3H2
InChIKeyPTLWGBUXMATRQC-UHFFFAOYSA-N
MW172.13 g/mol
LogP1.27
Rot. Bonds2

About 2,3-difluoro-6-(hydroxymethyl)benzaldehyde

2,3-difluoro-6-(hydroxymethyl)benzaldehyde (PubChem CID 169274886) has the molecular formula C8H6F2O2 and a molecular weight of 172.13 g/mol. Its IUPAC name is 2,3-difluoro-6-(hydroxymethyl)benzaldehyde.

Molecular Properties

Compound Name2,3-difluoro-6-(hydroxymethyl)benzaldehyde
PubChem CID169274886
Molecular FormulaC8H6F2O2
Molecular Weight172.13 g/mol
Exact Mass172.03
IUPAC Name2,3-difluoro-6-(hydroxymethyl)benzaldehyde
SMILESO=Cc1c(CO)ccc(F)c1F
InChIInChI=1S/C8H6F2O2/c9-7-2-1-5(3-11)6(4-12)8(7)10/h1-2,4,11H,3H2
InChIKeyPTLWGBUXMATRQC-UHFFFAOYSA-N
XLogP1.27
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.13
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,6-bis(hydroxymethyl)benzaldehyde
CID 87930844
(3,4-difluoro-2-iodophenyl)methanol
CID 137378555
(2,4-difluoro-3-formylphenyl)methanesulfonamide
CID 141294322
4-fluoro-7-(hydroxymethyl)-1-benzothiophene-3-carbaldehyde
CID 130969863
(2,4-difluoro-3-nitrophenyl)methanol
CID 118991228
3-(2,3,4-trifluorophenyl)propanal
CID 22669156
2,4-bis(hydroxymethyl)furan-3-carbaldehyde
CID 123901349
2,6-difluoro-3-methylbenzaldehyde
CID 2774137
6-(hydroxymethyl)-3-methyl-1-benzothiophene-7-carbaldehyde
CID 130914822
3-amino-6-(hydroxymethyl)-1-benzothiophene-7-carbaldehyde
CID 130901235
3-(2,3,6-trifluorophenyl)prop-2-enal
CID 169458927
2,4-difluoro-3-hydroxybenzaldehyde
CID 593909

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-6-(hydroxymethyl)benzaldehyde?
The IUPAC name of 2,3-difluoro-6-(hydroxymethyl)benzaldehyde (CID 169274886) is 2,3-difluoro-6-(hydroxymethyl)benzaldehyde.
What is the SMILES notation for 2,3-difluoro-6-(hydroxymethyl)benzaldehyde?
The canonical SMILES for 2,3-difluoro-6-(hydroxymethyl)benzaldehyde is O=Cc1c(CO)ccc(F)c1F.
What is the InChIKey of 2,3-difluoro-6-(hydroxymethyl)benzaldehyde?
The InChIKey is PTLWGBUXMATRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2O2/c9-7-2-1-5(3-11)6(4-12)8(7)10/h1-2,4,11H,3H2.
What are the key properties of 2,3-difluoro-6-(hydroxymethyl)benzaldehyde?
2,3-difluoro-6-(hydroxymethyl)benzaldehyde has a molecular weight of 172.13 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-6-(hydroxymethyl)benzaldehyde is sourced from PubChem (CID 169274886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).