5-(2-ethylbenzoyl)-2-fluorobenzaldehyde

C16H13FO2 — CID 156815648

IUPAC5-(2-ethylbenzoyl)-2-fluorobenzaldehyde
SMILESCCc1ccccc1C(=O)c1ccc(F)c(C=O)c1
InChIInChI=1S/C16H13FO2/c1-2-11-5-3-4-6-14(11)16(19)12-7-8-15(17)13(9-12)10-18/h3-10H,2H2,1H3
InChIKeyQOMLQCGQTDOTHZ-UHFFFAOYSA-N
MW256.28 g/mol
LogP3.43
Rot. Bonds4

About 5-(2-ethylbenzoyl)-2-fluorobenzaldehyde

5-(2-ethylbenzoyl)-2-fluorobenzaldehyde (PubChem CID 156815648) has the molecular formula C16H13FO2 and a molecular weight of 256.28 g/mol. Its IUPAC name is 5-(2-ethylbenzoyl)-2-fluorobenzaldehyde.

Molecular Properties

Compound Name5-(2-ethylbenzoyl)-2-fluorobenzaldehyde
PubChem CID156815648
Molecular FormulaC16H13FO2
Molecular Weight256.28 g/mol
Exact Mass256.09
IUPAC Name5-(2-ethylbenzoyl)-2-fluorobenzaldehyde
SMILESCCc1ccccc1C(=O)c1ccc(F)c(C=O)c1
InChIInChI=1S/C16H13FO2/c1-2-11-5-3-4-6-14(11)16(19)12-7-8-15(17)13(9-12)10-18/h3-10H,2H2,1H3
InChIKeyQOMLQCGQTDOTHZ-UHFFFAOYSA-N
XLogP3.43
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

sodium;(2-ethylphenyl)-phenylmethanone;hydride
CID 175475173
(2-ethylphenyl)-(2-fluorophenyl)methanone
CID 83393999
(2-ethylphenyl)-(2,4,5-trifluorophenyl)methanone
CID 103693764
2-fluoro-5-pent-2-en-3-ylbenzaldehyde
CID 76579095
2-(3-fluorobenzoyl)benzaldehyde
CID 175472655
(2,4-dichlorophenyl)-(2-ethylphenyl)methanone
CID 79020257
(9-ethylcarbazol-3-yl)-(2-ethylphenyl)methanone
CID 141364067
(3,4-difluorophenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone
CID 24725221
(3-bromo-4-fluorophenyl)-(2,5-diethylphenyl)methanone
CID 107949896
(3-fluorophenyl)-[2-[2-(methylamino)ethyl]phenyl]methanone
CID 116613286
4-benzoylphthalaldehyde
CID 175060465
2-[2-(4-fluorobenzoyl)phenyl]acetic acid
CID 132556862

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylbenzoyl)-2-fluorobenzaldehyde?
The IUPAC name of 5-(2-ethylbenzoyl)-2-fluorobenzaldehyde (CID 156815648) is 5-(2-ethylbenzoyl)-2-fluorobenzaldehyde.
What is the SMILES notation for 5-(2-ethylbenzoyl)-2-fluorobenzaldehyde?
The canonical SMILES for 5-(2-ethylbenzoyl)-2-fluorobenzaldehyde is CCc1ccccc1C(=O)c1ccc(F)c(C=O)c1.
What is the InChIKey of 5-(2-ethylbenzoyl)-2-fluorobenzaldehyde?
The InChIKey is QOMLQCGQTDOTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FO2/c1-2-11-5-3-4-6-14(11)16(19)12-7-8-15(17)13(9-12)10-18/h3-10H,2H2,1H3.
What are the key properties of 5-(2-ethylbenzoyl)-2-fluorobenzaldehyde?
5-(2-ethylbenzoyl)-2-fluorobenzaldehyde has a molecular weight of 256.28 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylbenzoyl)-2-fluorobenzaldehyde is sourced from PubChem (CID 156815648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).