4-(1-fluoro-2-methylpropan-2-yl)benzaldehyde

C11H13FO — CID 105438723

IUPAC4-(1-fluoro-2-methylpropan-2-yl)benzaldehyde
SMILESCC(C)(CF)c1ccc(C=O)cc1
InChIInChI=1S/C11H13FO/c1-11(2,8-12)10-5-3-9(7-13)4-6-10/h3-7H,8H2,1-2H3
InChIKeyYQWNGAJSLICPLK-UHFFFAOYSA-N
MW180.22 g/mol
LogP2.75
Rot. Bonds3

About 4-(1-fluoro-2-methylpropan-2-yl)benzaldehyde

4-(1-fluoro-2-methylpropan-2-yl)benzaldehyde (PubChem CID 105438723) has the molecular formula C11H13FO and a molecular weight of 180.22 g/mol. Its IUPAC name is 4-(1-fluoro-2-methylpropan-2-yl)benzaldehyde.

Molecular Properties

Compound Name4-(1-fluoro-2-methylpropan-2-yl)benzaldehyde
PubChem CID105438723
Molecular FormulaC11H13FO
Molecular Weight180.22 g/mol
Exact Mass180.10
IUPAC Name4-(1-fluoro-2-methylpropan-2-yl)benzaldehyde
SMILESCC(C)(CF)c1ccc(C=O)cc1
InChIInChI=1S/C11H13FO/c1-11(2,8-12)10-5-3-9(7-13)4-6-10/h3-7H,8H2,1-2H3
InChIKeyYQWNGAJSLICPLK-UHFFFAOYSA-N
XLogP2.75
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.22
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methyl-1-methylsulfonylpropan-2-yl)benzaldehyde
CID 117118459
1-bromo-4-(1-fluoro-2-methylpropan-2-yl)benzene
CID 86730298
4-(1,1-diaminopropyl)benzaldehyde
CID 163938145
4-[amino(difluoro)methyl]benzaldehyde
CID 90101220
4-(2-aminopent-4-en-2-yl)benzaldehyde
CID 145484483
4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
CID 53329765
4-(1,1-difluoroprop-2-enyl)benzaldehyde
CID 125492503
[3-(4-formylphenyl)-2,2,4,4-tetramethylpentan-3-yl]phosphonic acid
CID 19002288
4-(2-hydroxy-2-methylpropyl)benzaldehyde
CID 105437566
benzene;terephthalaldehyde
CID 163498156
4-(5-hydroxynonan-5-yl)benzaldehyde
CID 100961929
2-ethyl-2-(4-formylphenyl)pentanamide
CID 174749604

Frequently Asked Questions

What is the IUPAC name of 4-(1-fluoro-2-methylpropan-2-yl)benzaldehyde?
The IUPAC name of 4-(1-fluoro-2-methylpropan-2-yl)benzaldehyde (CID 105438723) is 4-(1-fluoro-2-methylpropan-2-yl)benzaldehyde.
What is the SMILES notation for 4-(1-fluoro-2-methylpropan-2-yl)benzaldehyde?
The canonical SMILES for 4-(1-fluoro-2-methylpropan-2-yl)benzaldehyde is CC(C)(CF)c1ccc(C=O)cc1.
What is the InChIKey of 4-(1-fluoro-2-methylpropan-2-yl)benzaldehyde?
The InChIKey is YQWNGAJSLICPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO/c1-11(2,8-12)10-5-3-9(7-13)4-6-10/h3-7H,8H2,1-2H3.
What are the key properties of 4-(1-fluoro-2-methylpropan-2-yl)benzaldehyde?
4-(1-fluoro-2-methylpropan-2-yl)benzaldehyde has a molecular weight of 180.22 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-fluoro-2-methylpropan-2-yl)benzaldehyde is sourced from PubChem (CID 105438723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).