3-(1-fluoroethyl)benzaldehyde

C9H9FO — CID 83856182

IUPAC3-(1-fluoroethyl)benzaldehyde
SMILESCC(F)c1cccc(C=O)c1
InChIInChI=1S/C9H9FO/c1-7(10)9-4-2-3-8(5-9)6-11/h2-7H,1H3
InChIKeyNMTGNQRSBGFCGD-UHFFFAOYSA-N
MW152.17 g/mol
LogP2.53
Rot. Bonds2

About 3-(1-fluoroethyl)benzaldehyde

3-(1-fluoroethyl)benzaldehyde (PubChem CID 83856182) has the molecular formula C9H9FO and a molecular weight of 152.17 g/mol. Its IUPAC name is 3-(1-fluoroethyl)benzaldehyde.

Molecular Properties

Compound Name3-(1-fluoroethyl)benzaldehyde
PubChem CID83856182
Molecular FormulaC9H9FO
Molecular Weight152.17 g/mol
Exact Mass152.06
IUPAC Name3-(1-fluoroethyl)benzaldehyde
SMILESCC(F)c1cccc(C=O)c1
InChIInChI=1S/C9H9FO/c1-7(10)9-4-2-3-8(5-9)6-11/h2-7H,1H3
InChIKeyNMTGNQRSBGFCGD-UHFFFAOYSA-N
XLogP2.53
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.17
LogP ≤ 52.53
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

3-(1-fluoro-2-methylpropyl)benzaldehyde
CID 83856184
3-(4-oxobutan-2-yl)benzaldehyde
CID 174605673
3-[chloro-(3-formylphenyl)methyl]benzaldehyde
CID 57015313
3-pentan-2-ylbenzaldehyde
CID 139685912
4-[(1R)-1-fluoroethyl]benzaldehyde
CID 124547500
benzene-1,3-dicarbaldehyde;ethane
CID 91375977
3-(1-bromo-2-oxoethyl)benzaldehyde
CID 174741180
3-[cyclopentyl(fluoro)methyl]benzaldehyde
CID 115024667
3-(1-hydroxy-2,2-dimethylpropyl)benzaldehyde
CID 115019110
3-(1-pyridin-3-ylethyl)benzaldehyde
CID 174510753
piperidine;3-propan-2-ylbenzaldehyde
CID 144804603
3-(1-pyrrolidin-3-ylethyl)benzaldehyde
CID 115023129

Frequently Asked Questions

What is the IUPAC name of 3-(1-fluoroethyl)benzaldehyde?
The IUPAC name of 3-(1-fluoroethyl)benzaldehyde (CID 83856182) is 3-(1-fluoroethyl)benzaldehyde.
What is the SMILES notation for 3-(1-fluoroethyl)benzaldehyde?
The canonical SMILES for 3-(1-fluoroethyl)benzaldehyde is CC(F)c1cccc(C=O)c1.
What is the InChIKey of 3-(1-fluoroethyl)benzaldehyde?
The InChIKey is NMTGNQRSBGFCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO/c1-7(10)9-4-2-3-8(5-9)6-11/h2-7H,1H3.
What are the key properties of 3-(1-fluoroethyl)benzaldehyde?
3-(1-fluoroethyl)benzaldehyde has a molecular weight of 152.17 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-fluoroethyl)benzaldehyde is sourced from PubChem (CID 83856182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).