4-(4-fluoroazepan-1-yl)benzaldehyde

C13H16FNO — CID 115032624

IUPAC4-(4-fluoroazepan-1-yl)benzaldehyde
SMILESO=Cc1ccc(N2CCCC(F)CC2)cc1
InChIInChI=1S/C13H16FNO/c14-12-2-1-8-15(9-7-12)13-5-3-11(10-16)4-6-13/h3-6,10,12H,1-2,7-9H2
InChIKeyVPIQLQMAJCOAHL-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.83
Rot. Bonds2

About 4-(4-fluoroazepan-1-yl)benzaldehyde

4-(4-fluoroazepan-1-yl)benzaldehyde (PubChem CID 115032624) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is 4-(4-fluoroazepan-1-yl)benzaldehyde.

Molecular Properties

Compound Name4-(4-fluoroazepan-1-yl)benzaldehyde
PubChem CID115032624
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC Name4-(4-fluoroazepan-1-yl)benzaldehyde
SMILESO=Cc1ccc(N2CCCC(F)CC2)cc1
InChIInChI=1S/C13H16FNO/c14-12-2-1-8-15(9-7-12)13-5-3-11(10-16)4-6-13/h3-6,10,12H,1-2,7-9H2
InChIKeyVPIQLQMAJCOAHL-UHFFFAOYSA-N
XLogP2.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.83
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

1-(4-formylphenyl)piperidine-3-carboxylic acid
CID 83972018
4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)benzaldehyde
CID 55166369
4-[4-(4-fluorophenyl)piperazin-1-yl]benzaldehyde
CID 28603665
4-(4-pyrrolidin-1-ylphenoxy)benzaldehyde
CID 82275259
4-(4-oxopiperidin-1-yl)benzaldehyde
CID 12717443
4-[4-[(4-fluorophenyl)methyl-methylamino]piperidin-1-yl]benzaldehyde
CID 19784373
4-(4,4-diethylpiperidin-1-yl)benzaldehyde
CID 63158669
4-(3,4-dimethylpyrrolidin-1-yl)benzaldehyde
CID 79189106
4-(3,4-dimethylpiperazin-1-yl)benzaldehyde
CID 63609039
1-[4-(aminomethyl)phenyl]-N,N-dimethylpiperidin-4-amine;azane;4-[4-(dimethylamino)piperidin-1-yl]benzaldehyde
CID 159113137
4-[[1-(4-formylphenyl)piperidin-4-yl]methyl]benzoic acid
CID 174842373
[1-(4-formylphenyl)pyrrolidin-3-yl]carbamic acid
CID 87405577

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoroazepan-1-yl)benzaldehyde?
The IUPAC name of 4-(4-fluoroazepan-1-yl)benzaldehyde (CID 115032624) is 4-(4-fluoroazepan-1-yl)benzaldehyde.
What is the SMILES notation for 4-(4-fluoroazepan-1-yl)benzaldehyde?
The canonical SMILES for 4-(4-fluoroazepan-1-yl)benzaldehyde is O=Cc1ccc(N2CCCC(F)CC2)cc1.
What is the InChIKey of 4-(4-fluoroazepan-1-yl)benzaldehyde?
The InChIKey is VPIQLQMAJCOAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c14-12-2-1-8-15(9-7-12)13-5-3-11(10-16)4-6-13/h3-6,10,12H,1-2,7-9H2.
What are the key properties of 4-(4-fluoroazepan-1-yl)benzaldehyde?
4-(4-fluoroazepan-1-yl)benzaldehyde has a molecular weight of 221.28 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoroazepan-1-yl)benzaldehyde is sourced from PubChem (CID 115032624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).