4,5-difluoro-2-(2-hydroxypropan-2-yl)benzaldehyde

C10H10F2O2 — CID 117289072

IUPAC4,5-difluoro-2-(2-hydroxypropan-2-yl)benzaldehyde
SMILESCC(C)(O)c1cc(F)c(F)cc1C=O
InChIInChI=1S/C10H10F2O2/c1-10(2,14)7-4-9(12)8(11)3-6(7)5-13/h3-5,14H,1-2H3
InChIKeyUPENGBKWEQDZTC-UHFFFAOYSA-N
MW200.18 g/mol
LogP2.00
Rot. Bonds2

About 4,5-difluoro-2-(2-hydroxypropan-2-yl)benzaldehyde

4,5-difluoro-2-(2-hydroxypropan-2-yl)benzaldehyde (PubChem CID 117289072) has the molecular formula C10H10F2O2 and a molecular weight of 200.18 g/mol. Its IUPAC name is 4,5-difluoro-2-(2-hydroxypropan-2-yl)benzaldehyde.

Molecular Properties

Compound Name4,5-difluoro-2-(2-hydroxypropan-2-yl)benzaldehyde
PubChem CID117289072
Molecular FormulaC10H10F2O2
Molecular Weight200.18 g/mol
Exact Mass200.06
IUPAC Name4,5-difluoro-2-(2-hydroxypropan-2-yl)benzaldehyde
SMILESCC(C)(O)c1cc(F)c(F)cc1C=O
InChIInChI=1S/C10H10F2O2/c1-10(2,14)7-4-9(12)8(11)3-6(7)5-13/h3-5,14H,1-2H3
InChIKeyUPENGBKWEQDZTC-UHFFFAOYSA-N
XLogP2.00
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.18
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-2-(2-hydroxypropan-2-yl)benzaldehyde?
The IUPAC name of 4,5-difluoro-2-(2-hydroxypropan-2-yl)benzaldehyde (CID 117289072) is 4,5-difluoro-2-(2-hydroxypropan-2-yl)benzaldehyde.
What is the SMILES notation for 4,5-difluoro-2-(2-hydroxypropan-2-yl)benzaldehyde?
The canonical SMILES for 4,5-difluoro-2-(2-hydroxypropan-2-yl)benzaldehyde is CC(C)(O)c1cc(F)c(F)cc1C=O.
What is the InChIKey of 4,5-difluoro-2-(2-hydroxypropan-2-yl)benzaldehyde?
The InChIKey is UPENGBKWEQDZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O2/c1-10(2,14)7-4-9(12)8(11)3-6(7)5-13/h3-5,14H,1-2H3.
What are the key properties of 4,5-difluoro-2-(2-hydroxypropan-2-yl)benzaldehyde?
4,5-difluoro-2-(2-hydroxypropan-2-yl)benzaldehyde has a molecular weight of 200.18 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-2-(2-hydroxypropan-2-yl)benzaldehyde is sourced from PubChem (CID 117289072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).