2-(cyclohexylamino)-2-fluoroacetaldehyde

C8H14FNO — CID 138643074

IUPAC2-(cyclohexylamino)-2-fluoroacetaldehyde
SMILESO=CC(F)NC1CCCCC1
InChIInChI=1S/C8H14FNO/c9-8(6-11)10-7-4-2-1-3-5-7/h6-8,10H,1-5H2
InChIKeyDXTHSNMZXDBJLI-UHFFFAOYSA-N
MW159.20 g/mol
LogP1.40
Rot. Bonds3

About 2-(cyclohexylamino)-2-fluoroacetaldehyde

2-(cyclohexylamino)-2-fluoroacetaldehyde (PubChem CID 138643074) has the molecular formula C8H14FNO and a molecular weight of 159.20 g/mol. Its IUPAC name is 2-(cyclohexylamino)-2-fluoroacetaldehyde.

Molecular Properties

Compound Name2-(cyclohexylamino)-2-fluoroacetaldehyde
PubChem CID138643074
Molecular FormulaC8H14FNO
Molecular Weight159.20 g/mol
Exact Mass159.11
IUPAC Name2-(cyclohexylamino)-2-fluoroacetaldehyde
SMILESO=CC(F)NC1CCCCC1
InChIInChI=1S/C8H14FNO/c9-8(6-11)10-7-4-2-1-3-5-7/h6-8,10H,1-5H2
InChIKeyDXTHSNMZXDBJLI-UHFFFAOYSA-N
XLogP1.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.20
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(cyclohexylamino)-2-fluoroacetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-2-fluoroacetaldehyde?
The IUPAC name of 2-(cyclohexylamino)-2-fluoroacetaldehyde (CID 138643074) is 2-(cyclohexylamino)-2-fluoroacetaldehyde.
What is the SMILES notation for 2-(cyclohexylamino)-2-fluoroacetaldehyde?
The canonical SMILES for 2-(cyclohexylamino)-2-fluoroacetaldehyde is O=CC(F)NC1CCCCC1.
What is the InChIKey of 2-(cyclohexylamino)-2-fluoroacetaldehyde?
The InChIKey is DXTHSNMZXDBJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO/c9-8(6-11)10-7-4-2-1-3-5-7/h6-8,10H,1-5H2.
What are the key properties of 2-(cyclohexylamino)-2-fluoroacetaldehyde?
2-(cyclohexylamino)-2-fluoroacetaldehyde has a molecular weight of 159.20 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-2-fluoroacetaldehyde is sourced from PubChem (CID 138643074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).