2-(4,4-difluorocyclohexyl)-2-methoxyacetaldehyde

C9H14F2O2 — CID 155819576

IUPAC2-(4,4-difluorocyclohexyl)-2-methoxyacetaldehyde
SMILESCOC(C=O)C1CCC(F)(F)CC1
InChIInChI=1S/C9H14F2O2/c1-13-8(6-12)7-2-4-9(10,11)5-3-7/h6-8H,2-5H2,1H3
InChIKeyZKPUPYFNVFVMKU-UHFFFAOYSA-N
MW192.20 g/mol
LogP2.03
Rot. Bonds3

About 2-(4,4-difluorocyclohexyl)-2-methoxyacetaldehyde

2-(4,4-difluorocyclohexyl)-2-methoxyacetaldehyde (PubChem CID 155819576) has the molecular formula C9H14F2O2 and a molecular weight of 192.20 g/mol. Its IUPAC name is 2-(4,4-difluorocyclohexyl)-2-methoxyacetaldehyde.

Molecular Properties

Compound Name2-(4,4-difluorocyclohexyl)-2-methoxyacetaldehyde
PubChem CID155819576
Molecular FormulaC9H14F2O2
Molecular Weight192.20 g/mol
Exact Mass192.10
IUPAC Name2-(4,4-difluorocyclohexyl)-2-methoxyacetaldehyde
SMILESCOC(C=O)C1CCC(F)(F)CC1
InChIInChI=1S/C9H14F2O2/c1-13-8(6-12)7-2-4-9(10,11)5-3-7/h6-8H,2-5H2,1H3
InChIKeyZKPUPYFNVFVMKU-UHFFFAOYSA-N
XLogP2.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.20
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Cyclohexyl-2-ethoxyacetaldehyde
CID 105434553
4,4-Difluoro-1-methoxycyclohexane-1-carbaldehyde
CID 155821930
1-Cyclohexyl-2-fluoro-2-(trifluoromethoxy)ethan-1-one
CID 21730841
3-[2-(2,2,2-Trifluoroethyl)oxan-4-yl]propanal
CID 138547114
1-(2-Methylpropoxy)-4-(trifluoromethyl)cyclohexane-1-carbaldehyde
CID 146330728
1-Butoxy-4-(trifluoromethyl)cyclohexane-1-carbaldehyde
CID 155200981
2-Cyclohexyl-2-methoxyacetaldehyde
CID 83826504
2-Cyclohexyl-2-ethoxy-3,3,3-trifluoropropanal
CID 10014423
2-(Cyclohexylmethyl)-2-ethoxy-3,3,4,4,5,5,5-heptafluoropentanal
CID 10020872
2-Cyclohexyl-2-ethoxy-3,3,4,4,4-pentafluorobutanal
CID 10266098
1-Cyclohexyl-3-ethoxy-4,4,5,5,6,6,6-heptafluorohexan-2-one
CID 10405737
2-(Cyclohexylmethyl)-2-ethoxy-3,3,4,4,4-pentafluorobutanal
CID 10470159

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluorocyclohexyl)-2-methoxyacetaldehyde?
The IUPAC name of 2-(4,4-difluorocyclohexyl)-2-methoxyacetaldehyde (CID 155819576) is 2-(4,4-difluorocyclohexyl)-2-methoxyacetaldehyde.
What is the SMILES notation for 2-(4,4-difluorocyclohexyl)-2-methoxyacetaldehyde?
The canonical SMILES for 2-(4,4-difluorocyclohexyl)-2-methoxyacetaldehyde is COC(C=O)C1CCC(F)(F)CC1.
What is the InChIKey of 2-(4,4-difluorocyclohexyl)-2-methoxyacetaldehyde?
The InChIKey is ZKPUPYFNVFVMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2O2/c1-13-8(6-12)7-2-4-9(10,11)5-3-7/h6-8H,2-5H2,1H3.
What are the key properties of 2-(4,4-difluorocyclohexyl)-2-methoxyacetaldehyde?
2-(4,4-difluorocyclohexyl)-2-methoxyacetaldehyde has a molecular weight of 192.20 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluorocyclohexyl)-2-methoxyacetaldehyde is sourced from PubChem (CID 155819576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).