4-[2,4-di(propan-2-yl)phenyl]-2-fluorobenzaldehyde

C19H21FO — CID 63424861

IUPAC4-[2,4-di(propan-2-yl)phenyl]-2-fluorobenzaldehyde
SMILESCC(C)c1ccc(-c2ccc(C=O)c(F)c2)c(C(C)C)c1
InChIInChI=1S/C19H21FO/c1-12(2)14-7-8-17(18(9-14)13(3)4)15-5-6-16(11-21)19(20)10-15/h5-13H,1-4H3
InChIKeyLOWFFUWVJQALEH-UHFFFAOYSA-N
MW284.37 g/mol
LogP5.55
Rot. Bonds4

About 4-[2,4-di(propan-2-yl)phenyl]-2-fluorobenzaldehyde

4-[2,4-di(propan-2-yl)phenyl]-2-fluorobenzaldehyde (PubChem CID 63424861) has the molecular formula C19H21FO and a molecular weight of 284.37 g/mol. Its IUPAC name is 4-[2,4-di(propan-2-yl)phenyl]-2-fluorobenzaldehyde.

Molecular Properties

Compound Name4-[2,4-di(propan-2-yl)phenyl]-2-fluorobenzaldehyde
PubChem CID63424861
Molecular FormulaC19H21FO
Molecular Weight284.37 g/mol
Exact Mass284.16
IUPAC Name4-[2,4-di(propan-2-yl)phenyl]-2-fluorobenzaldehyde
SMILESCC(C)c1ccc(-c2ccc(C=O)c(F)c2)c(C(C)C)c1
InChIInChI=1S/C19H21FO/c1-12(2)14-7-8-17(18(9-14)13(3)4)15-5-6-16(11-21)19(20)10-15/h5-13H,1-4H3
InChIKeyLOWFFUWVJQALEH-UHFFFAOYSA-N
XLogP5.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.37
LogP ≤ 55.55
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-[2,4-di(propan-2-yl)phenyl]-2-fluorobenzaldehyde?
The IUPAC name of 4-[2,4-di(propan-2-yl)phenyl]-2-fluorobenzaldehyde (CID 63424861) is 4-[2,4-di(propan-2-yl)phenyl]-2-fluorobenzaldehyde.
What is the SMILES notation for 4-[2,4-di(propan-2-yl)phenyl]-2-fluorobenzaldehyde?
The canonical SMILES for 4-[2,4-di(propan-2-yl)phenyl]-2-fluorobenzaldehyde is CC(C)c1ccc(-c2ccc(C=O)c(F)c2)c(C(C)C)c1.
What is the InChIKey of 4-[2,4-di(propan-2-yl)phenyl]-2-fluorobenzaldehyde?
The InChIKey is LOWFFUWVJQALEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FO/c1-12(2)14-7-8-17(18(9-14)13(3)4)15-5-6-16(11-21)19(20)10-15/h5-13H,1-4H3.
What are the key properties of 4-[2,4-di(propan-2-yl)phenyl]-2-fluorobenzaldehyde?
4-[2,4-di(propan-2-yl)phenyl]-2-fluorobenzaldehyde has a molecular weight of 284.37 g/mol, XLogP of 5.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,4-di(propan-2-yl)phenyl]-2-fluorobenzaldehyde is sourced from PubChem (CID 63424861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).