4-[(Z)-2-fluoro-3,3-dimethyl-1-phenylbut-1-enyl]benzaldehyde

C19H19FO — CID 102283084

IUPAC4-[(Z)-2-fluoro-3,3-dimethyl-1-phenylbut-1-enyl]benzaldehyde
SMILESCC(C)(C)/C(F)=C(\c1ccccc1)c1ccc(C=O)cc1
InChIInChI=1S/C19H19FO/c1-19(2,3)18(20)17(15-7-5-4-6-8-15)16-11-9-14(13-21)10-12-16/h4-13H,1-3H3/b18-17-
InChIKeyRYASMJJLAFOZTA-ZCXUNETKSA-N
MW282.36 g/mol
LogP5.27
Rot. Bonds3

About 4-[(Z)-2-fluoro-3,3-dimethyl-1-phenylbut-1-enyl]benzaldehyde

4-[(Z)-2-fluoro-3,3-dimethyl-1-phenylbut-1-enyl]benzaldehyde (PubChem CID 102283084) has the molecular formula C19H19FO and a molecular weight of 282.36 g/mol. Its IUPAC name is 4-[(Z)-2-fluoro-3,3-dimethyl-1-phenylbut-1-enyl]benzaldehyde.

Molecular Properties

Compound Name4-[(Z)-2-fluoro-3,3-dimethyl-1-phenylbut-1-enyl]benzaldehyde
PubChem CID102283084
Molecular FormulaC19H19FO
Molecular Weight282.36 g/mol
Exact Mass282.14
IUPAC Name4-[(Z)-2-fluoro-3,3-dimethyl-1-phenylbut-1-enyl]benzaldehyde
SMILESCC(C)(C)/C(F)=C(\c1ccccc1)c1ccc(C=O)cc1
InChIInChI=1S/C19H19FO/c1-19(2,3)18(20)17(15-7-5-4-6-8-15)16-11-9-14(13-21)10-12-16/h4-13H,1-3H3/b18-17-
InChIKeyRYASMJJLAFOZTA-ZCXUNETKSA-N
XLogP5.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.36
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[(Z)-2-fluoro-3,3-dimethyl-1-phenylbut-1-enyl]benzaldehyde?
The IUPAC name of 4-[(Z)-2-fluoro-3,3-dimethyl-1-phenylbut-1-enyl]benzaldehyde (CID 102283084) is 4-[(Z)-2-fluoro-3,3-dimethyl-1-phenylbut-1-enyl]benzaldehyde.
What is the SMILES notation for 4-[(Z)-2-fluoro-3,3-dimethyl-1-phenylbut-1-enyl]benzaldehyde?
The canonical SMILES for 4-[(Z)-2-fluoro-3,3-dimethyl-1-phenylbut-1-enyl]benzaldehyde is CC(C)(C)/C(F)=C(\c1ccccc1)c1ccc(C=O)cc1.
What is the InChIKey of 4-[(Z)-2-fluoro-3,3-dimethyl-1-phenylbut-1-enyl]benzaldehyde?
The InChIKey is RYASMJJLAFOZTA-ZCXUNETKSA-N. The full InChI is InChI=1S/C19H19FO/c1-19(2,3)18(20)17(15-7-5-4-6-8-15)16-11-9-14(13-21)10-12-16/h4-13H,1-3H3/b18-17-.
What are the key properties of 4-[(Z)-2-fluoro-3,3-dimethyl-1-phenylbut-1-enyl]benzaldehyde?
4-[(Z)-2-fluoro-3,3-dimethyl-1-phenylbut-1-enyl]benzaldehyde has a molecular weight of 282.36 g/mol, XLogP of 5.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-fluoro-3,3-dimethyl-1-phenylbut-1-enyl]benzaldehyde is sourced from PubChem (CID 102283084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).