2-(1-aminocyclohexyl)-4-fluorobenzaldehyde

C13H16FNO — CID 117315954

IUPAC2-(1-aminocyclohexyl)-4-fluorobenzaldehyde
SMILESNC1(c2cc(F)ccc2C=O)CCCCC1
InChIInChI=1S/C13H16FNO/c14-11-5-4-10(9-16)12(8-11)13(15)6-2-1-3-7-13/h4-5,8-9H,1-3,6-7,15H2
InChIKeyIBZDUMGIRKQINO-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.76
Rot. Bonds2

About 2-(1-aminocyclohexyl)-4-fluorobenzaldehyde

2-(1-aminocyclohexyl)-4-fluorobenzaldehyde (PubChem CID 117315954) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is 2-(1-aminocyclohexyl)-4-fluorobenzaldehyde.

Molecular Properties

Compound Name2-(1-aminocyclohexyl)-4-fluorobenzaldehyde
PubChem CID117315954
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC Name2-(1-aminocyclohexyl)-4-fluorobenzaldehyde
SMILESNC1(c2cc(F)ccc2C=O)CCCCC1
InChIInChI=1S/C13H16FNO/c14-11-5-4-10(9-16)12(8-11)13(15)6-2-1-3-7-13/h4-5,8-9H,1-3,6-7,15H2
InChIKeyIBZDUMGIRKQINO-UHFFFAOYSA-N
XLogP2.76
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(aminomethyl)cyclopentyl]-4-fluorobenzaldehyde
CID 117316027
2-(1-aminocyclopentyl)-4-methylbenzaldehyde
CID 117291966
2-(1-aminocyclopentyl)-4-hydroxybenzaldehyde
CID 117293459
1-(2,5-difluorophenyl)cyclopentan-1-amine
CID 62802401
1-(2-bromo-5-fluorophenyl)cyclohexan-1-amine
CID 117432906
1-(2,4-difluorophenyl)cyclohexan-1-amine
CID 62802198
1-(5-fluoro-2-pyrrolidin-1-ylphenyl)cyclopentan-1-amine
CID 117374393
1-(5-fluoro-2-propan-2-ylphenyl)cyclohexan-1-amine
CID 84797636
1-(4-fluoro-2-formylphenyl)cyclohexane-1-carboxylic acid
CID 117378661
2-(1-aminocyclopropyl)-4-methoxybenzaldehyde
CID 117282260
1-(4-fluoro-2-methoxyphenyl)cyclopentan-1-amine
CID 82612097
1-(6-fluoroquinolin-3-yl)cyclohexan-1-amine
CID 82664662

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclohexyl)-4-fluorobenzaldehyde?
The IUPAC name of 2-(1-aminocyclohexyl)-4-fluorobenzaldehyde (CID 117315954) is 2-(1-aminocyclohexyl)-4-fluorobenzaldehyde.
What is the SMILES notation for 2-(1-aminocyclohexyl)-4-fluorobenzaldehyde?
The canonical SMILES for 2-(1-aminocyclohexyl)-4-fluorobenzaldehyde is NC1(c2cc(F)ccc2C=O)CCCCC1.
What is the InChIKey of 2-(1-aminocyclohexyl)-4-fluorobenzaldehyde?
The InChIKey is IBZDUMGIRKQINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c14-11-5-4-10(9-16)12(8-11)13(15)6-2-1-3-7-13/h4-5,8-9H,1-3,6-7,15H2.
What are the key properties of 2-(1-aminocyclohexyl)-4-fluorobenzaldehyde?
2-(1-aminocyclohexyl)-4-fluorobenzaldehyde has a molecular weight of 221.28 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclohexyl)-4-fluorobenzaldehyde is sourced from PubChem (CID 117315954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).