4-(1-amino-2-fluoroethyl)cyclohexane-1-carbaldehyde

C9H16FNO — CID 144887744

IUPAC4-(1-amino-2-fluoroethyl)cyclohexane-1-carbaldehyde
SMILESNC(CF)C1CCC(C=O)CC1
InChIInChI=1S/C9H16FNO/c10-5-9(11)8-3-1-7(6-12)2-4-8/h6-9H,1-5,11H2
InChIKeyYVIKLEGYRKCPLD-UHFFFAOYSA-N
MW173.23 g/mol
LogP1.29
Rot. Bonds3

About 4-(1-amino-2-fluoroethyl)cyclohexane-1-carbaldehyde

4-(1-amino-2-fluoroethyl)cyclohexane-1-carbaldehyde (PubChem CID 144887744) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is 4-(1-amino-2-fluoroethyl)cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name4-(1-amino-2-fluoroethyl)cyclohexane-1-carbaldehyde
PubChem CID144887744
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name4-(1-amino-2-fluoroethyl)cyclohexane-1-carbaldehyde
SMILESNC(CF)C1CCC(C=O)CC1
InChIInChI=1S/C9H16FNO/c10-5-9(11)8-3-1-7(6-12)2-4-8/h6-9H,1-5,11H2
InChIKeyYVIKLEGYRKCPLD-UHFFFAOYSA-N
XLogP1.29
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-2-fluoroethyl)cyclohexane-1-carbaldehyde?
The IUPAC name of 4-(1-amino-2-fluoroethyl)cyclohexane-1-carbaldehyde (CID 144887744) is 4-(1-amino-2-fluoroethyl)cyclohexane-1-carbaldehyde.
What is the SMILES notation for 4-(1-amino-2-fluoroethyl)cyclohexane-1-carbaldehyde?
The canonical SMILES for 4-(1-amino-2-fluoroethyl)cyclohexane-1-carbaldehyde is NC(CF)C1CCC(C=O)CC1.
What is the InChIKey of 4-(1-amino-2-fluoroethyl)cyclohexane-1-carbaldehyde?
The InChIKey is YVIKLEGYRKCPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO/c10-5-9(11)8-3-1-7(6-12)2-4-8/h6-9H,1-5,11H2.
What are the key properties of 4-(1-amino-2-fluoroethyl)cyclohexane-1-carbaldehyde?
4-(1-amino-2-fluoroethyl)cyclohexane-1-carbaldehyde has a molecular weight of 173.23 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-2-fluoroethyl)cyclohexane-1-carbaldehyde is sourced from PubChem (CID 144887744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).