2-(4-fluoro-2-propan-2-yloxycyclohexyl)acetaldehyde

C11H19FO2 — CID 118649401

IUPAC2-(4-fluoro-2-propan-2-yloxycyclohexyl)acetaldehyde
SMILESCC(C)OC1CC(F)CCC1CC=O
InChIInChI=1S/C11H19FO2/c1-8(2)14-11-7-10(12)4-3-9(11)5-6-13/h6,8-11H,3-5,7H2,1-2H3
InChIKeyZTCZIGTZFKNBOJ-UHFFFAOYSA-N
MW202.27 g/mol
LogP2.51
Rot. Bonds4

About 2-(4-fluoro-2-propan-2-yloxycyclohexyl)acetaldehyde

2-(4-fluoro-2-propan-2-yloxycyclohexyl)acetaldehyde (PubChem CID 118649401) has the molecular formula C11H19FO2 and a molecular weight of 202.27 g/mol. Its IUPAC name is 2-(4-fluoro-2-propan-2-yloxycyclohexyl)acetaldehyde.

Molecular Properties

Compound Name2-(4-fluoro-2-propan-2-yloxycyclohexyl)acetaldehyde
PubChem CID118649401
Molecular FormulaC11H19FO2
Molecular Weight202.27 g/mol
Exact Mass202.14
IUPAC Name2-(4-fluoro-2-propan-2-yloxycyclohexyl)acetaldehyde
SMILESCC(C)OC1CC(F)CCC1CC=O
InChIInChI=1S/C11H19FO2/c1-8(2)14-11-7-10(12)4-3-9(11)5-6-13/h6,8-11H,3-5,7H2,1-2H3
InChIKeyZTCZIGTZFKNBOJ-UHFFFAOYSA-N
XLogP2.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.27
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-fluoro-2-propan-2-yloxycyclohexyl)acetaldehyde 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-(4-fluoro-2-propan-2-yloxycyclohexyl)acetaldehyde?
The IUPAC name of 2-(4-fluoro-2-propan-2-yloxycyclohexyl)acetaldehyde (CID 118649401) is 2-(4-fluoro-2-propan-2-yloxycyclohexyl)acetaldehyde.
What is the SMILES notation for 2-(4-fluoro-2-propan-2-yloxycyclohexyl)acetaldehyde?
The canonical SMILES for 2-(4-fluoro-2-propan-2-yloxycyclohexyl)acetaldehyde is CC(C)OC1CC(F)CCC1CC=O.
What is the InChIKey of 2-(4-fluoro-2-propan-2-yloxycyclohexyl)acetaldehyde?
The InChIKey is ZTCZIGTZFKNBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FO2/c1-8(2)14-11-7-10(12)4-3-9(11)5-6-13/h6,8-11H,3-5,7H2,1-2H3.
What are the key properties of 2-(4-fluoro-2-propan-2-yloxycyclohexyl)acetaldehyde?
2-(4-fluoro-2-propan-2-yloxycyclohexyl)acetaldehyde has a molecular weight of 202.27 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-propan-2-yloxycyclohexyl)acetaldehyde is sourced from PubChem (CID 118649401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).