4,4-difluoro-1-hydroxycyclohexane-1-carbaldehyde

C7H10F2O2 — CID 134421167

IUPAC4,4-difluoro-1-hydroxycyclohexane-1-carbaldehyde
SMILESO=CC1(O)CCC(F)(F)CC1
InChIInChI=1S/C7H10F2O2/c8-7(9)3-1-6(11,5-10)2-4-7/h5,11H,1-4H2
InChIKeyVVMRAGXFSGMYIE-UHFFFAOYSA-N
MW164.15 g/mol
LogP1.13
Rot. Bonds1

About 4,4-difluoro-1-hydroxycyclohexane-1-carbaldehyde

4,4-difluoro-1-hydroxycyclohexane-1-carbaldehyde (PubChem CID 134421167) has the molecular formula C7H10F2O2 and a molecular weight of 164.15 g/mol. Its IUPAC name is 4,4-difluoro-1-hydroxycyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name4,4-difluoro-1-hydroxycyclohexane-1-carbaldehyde
PubChem CID134421167
Molecular FormulaC7H10F2O2
Molecular Weight164.15 g/mol
Exact Mass164.06
IUPAC Name4,4-difluoro-1-hydroxycyclohexane-1-carbaldehyde
SMILESO=CC1(O)CCC(F)(F)CC1
InChIInChI=1S/C7H10F2O2/c8-7(9)3-1-6(11,5-10)2-4-7/h5,11H,1-4H2
InChIKeyVVMRAGXFSGMYIE-UHFFFAOYSA-N
XLogP1.13
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.15
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Hydroxycyclohexanecarbaldehyde
CID 12517167
4,4-Difluoro-1-methoxycyclohexane-1-carbaldehyde
CID 155821930
4-Fluoro-1-hydroxycyclohexane-1-carbaldehyde
CID 121280951
4,4-Difluoro-1-hydroxycyclohexane-1-carbonyl iodide
CID 134570930
2-Hydroxy-2-(trifluoromethyl)hexanal
CID 142697452
4,4,4-Trifluoro-1-(1-hydroxycyclohexyl)butan-1-one
CID 103449665
6,6,6-Trifluoro-2-hydroxy-2-methylhexanal
CID 115515628
3-(3,3-Difluorocyclohexyl)-2-hydroxy-2-methylpropanal
CID 130487413
3-(2,2-Difluorocyclohexyl)-2-hydroxypropanal
CID 130877806
1-Hydroxy-2-oxocyclohexane-1-carbaldehyde
CID 59771917
1-Hydroperoxycyclohexane-1-carbaldehyde
CID 174537932

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-hydroxycyclohexane-1-carbaldehyde?
The IUPAC name of 4,4-difluoro-1-hydroxycyclohexane-1-carbaldehyde (CID 134421167) is 4,4-difluoro-1-hydroxycyclohexane-1-carbaldehyde.
What is the SMILES notation for 4,4-difluoro-1-hydroxycyclohexane-1-carbaldehyde?
The canonical SMILES for 4,4-difluoro-1-hydroxycyclohexane-1-carbaldehyde is O=CC1(O)CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-1-hydroxycyclohexane-1-carbaldehyde?
The InChIKey is VVMRAGXFSGMYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2O2/c8-7(9)3-1-6(11,5-10)2-4-7/h5,11H,1-4H2.
What are the key properties of 4,4-difluoro-1-hydroxycyclohexane-1-carbaldehyde?
4,4-difluoro-1-hydroxycyclohexane-1-carbaldehyde has a molecular weight of 164.15 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-hydroxycyclohexane-1-carbaldehyde is sourced from PubChem (CID 134421167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).