2-(4-fluorophenyl)acetaldehyde;propane

C11H15FO — CID 142055613

IUPAC2-(4-fluorophenyl)acetaldehyde;propane
SMILESCCC.O=CCc1ccc(F)cc1
InChIInChI=1S/C8H7FO.C3H8/c9-8-3-1-7(2-4-8)5-6-10;1-3-2/h1-4,6H,5H2;3H2,1-2H3
InChIKeyBMOBQYADSCWLSN-UHFFFAOYSA-N
MW182.24 g/mol
LogP2.98
Rot. Bonds2

About 2-(4-fluorophenyl)acetaldehyde;propane

2-(4-fluorophenyl)acetaldehyde;propane (PubChem CID 142055613) has the molecular formula C11H15FO and a molecular weight of 182.24 g/mol. Its IUPAC name is 2-(4-fluorophenyl)acetaldehyde;propane.

Molecular Properties

Compound Name2-(4-fluorophenyl)acetaldehyde;propane
PubChem CID142055613
Molecular FormulaC11H15FO
Molecular Weight182.24 g/mol
Exact Mass182.11
IUPAC Name2-(4-fluorophenyl)acetaldehyde;propane
SMILESCCC.O=CCc1ccc(F)cc1
InChIInChI=1S/C8H7FO.C3H8/c9-8-3-1-7(2-4-8)5-6-10;1-3-2/h1-4,6H,5H2;3H2,1-2H3
InChIKeyBMOBQYADSCWLSN-UHFFFAOYSA-N
XLogP2.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 52.98
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

2-[4-(4-fluorophenoxy)phenyl]acetaldehyde
CID 87855455
ethane;2-[4-(2-oxoethyl)phenyl]acetaldehyde
CID 90946532
(E)-4-(4-fluorophenyl)but-2-enal
CID 57413316
1-[(E)-but-2-enyl]-4-fluorobenzene
CID 13240703
1,4-difluorobenzene;formamide
CID 143654917
4-fluoroaniline;propanal
CID 143106695
1-fluoro-4-prop-2-enylbenzene;methanamine
CID 143096990
2-deuterio-3-(4-fluorophenyl)propanal
CID 57122378
lithium;alumane;2-(4-fluorophenyl)acetaldehyde;2-(4-fluorophenyl)-N-methoxy-N-methylacetamide;hydride;methane
CID 158240272
1-fluoro-4-propylbenzene
CID 2737505
2-(4-dodecylphenyl)acetaldehyde
CID 175020639
3-(4-fluorophenyl)-2,2-dimethylpropanal
CID 12814764

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)acetaldehyde;propane?
The IUPAC name of 2-(4-fluorophenyl)acetaldehyde;propane (CID 142055613) is 2-(4-fluorophenyl)acetaldehyde;propane.
What is the SMILES notation for 2-(4-fluorophenyl)acetaldehyde;propane?
The canonical SMILES for 2-(4-fluorophenyl)acetaldehyde;propane is CCC.O=CCc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)acetaldehyde;propane?
The InChIKey is BMOBQYADSCWLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FO.C3H8/c9-8-3-1-7(2-4-8)5-6-10;1-3-2/h1-4,6H,5H2;3H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)acetaldehyde;propane?
2-(4-fluorophenyl)acetaldehyde;propane has a molecular weight of 182.24 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)acetaldehyde;propane is sourced from PubChem (CID 142055613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).