2,2-difluoro-2-(1-hydroxy-3,3,5,5-tetramethylcyclohexyl)acetaldehyde

C12H20F2O2 — CID 88931578

IUPAC2,2-difluoro-2-(1-hydroxy-3,3,5,5-tetramethylcyclohexyl)acetaldehyde
SMILESCC1(C)CC(C)(C)CC(O)(C(F)(F)C=O)C1
InChIInChI=1S/C12H20F2O2/c1-9(2)5-10(3,4)7-11(16,6-9)12(13,14)8-15/h8,16H,5-7H2,1-4H3
InChIKeyADUSJFKVPORXKD-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.79
Rot. Bonds2

About 2,2-difluoro-2-(1-hydroxy-3,3,5,5-tetramethylcyclohexyl)acetaldehyde

2,2-difluoro-2-(1-hydroxy-3,3,5,5-tetramethylcyclohexyl)acetaldehyde (PubChem CID 88931578) has the molecular formula C12H20F2O2 and a molecular weight of 234.29 g/mol. Its IUPAC name is 2,2-difluoro-2-(1-hydroxy-3,3,5,5-tetramethylcyclohexyl)acetaldehyde.

Molecular Properties

Compound Name2,2-difluoro-2-(1-hydroxy-3,3,5,5-tetramethylcyclohexyl)acetaldehyde
PubChem CID88931578
Molecular FormulaC12H20F2O2
Molecular Weight234.29 g/mol
Exact Mass234.14
IUPAC Name2,2-difluoro-2-(1-hydroxy-3,3,5,5-tetramethylcyclohexyl)acetaldehyde
SMILESCC1(C)CC(C)(C)CC(O)(C(F)(F)C=O)C1
InChIInChI=1S/C12H20F2O2/c1-9(2)5-10(3,4)7-11(16,6-9)12(13,14)8-15/h8,16H,5-7H2,1-4H3
InChIKeyADUSJFKVPORXKD-UHFFFAOYSA-N
XLogP2.79
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.79
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 2,2-difluoro-2-(1-hydroxy-3,3,5,5-tetramethylcyclohexyl)acetaldehyde?
The IUPAC name of 2,2-difluoro-2-(1-hydroxy-3,3,5,5-tetramethylcyclohexyl)acetaldehyde (CID 88931578) is 2,2-difluoro-2-(1-hydroxy-3,3,5,5-tetramethylcyclohexyl)acetaldehyde.
What is the SMILES notation for 2,2-difluoro-2-(1-hydroxy-3,3,5,5-tetramethylcyclohexyl)acetaldehyde?
The canonical SMILES for 2,2-difluoro-2-(1-hydroxy-3,3,5,5-tetramethylcyclohexyl)acetaldehyde is CC1(C)CC(C)(C)CC(O)(C(F)(F)C=O)C1.
What is the InChIKey of 2,2-difluoro-2-(1-hydroxy-3,3,5,5-tetramethylcyclohexyl)acetaldehyde?
The InChIKey is ADUSJFKVPORXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2O2/c1-9(2)5-10(3,4)7-11(16,6-9)12(13,14)8-15/h8,16H,5-7H2,1-4H3.
What are the key properties of 2,2-difluoro-2-(1-hydroxy-3,3,5,5-tetramethylcyclohexyl)acetaldehyde?
2,2-difluoro-2-(1-hydroxy-3,3,5,5-tetramethylcyclohexyl)acetaldehyde has a molecular weight of 234.29 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(1-hydroxy-3,3,5,5-tetramethylcyclohexyl)acetaldehyde is sourced from PubChem (CID 88931578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).