4-fluoro-1-hydroxycyclohexane-1-carbaldehyde

C7H11FO2 — CID 121280951

IUPAC4-fluoro-1-hydroxycyclohexane-1-carbaldehyde
SMILESO=CC1(O)CCC(F)CC1
InChIInChI=1S/C7H11FO2/c8-6-1-3-7(10,5-9)4-2-6/h5-6,10H,1-4H2
InChIKeyVNEBKCDPIYCYLU-UHFFFAOYSA-N
MW146.16 g/mol
LogP0.83
Rot. Bonds1

About 4-fluoro-1-hydroxycyclohexane-1-carbaldehyde

4-fluoro-1-hydroxycyclohexane-1-carbaldehyde (PubChem CID 121280951) has the molecular formula C7H11FO2 and a molecular weight of 146.16 g/mol. Its IUPAC name is 4-fluoro-1-hydroxycyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name4-fluoro-1-hydroxycyclohexane-1-carbaldehyde
PubChem CID121280951
Molecular FormulaC7H11FO2
Molecular Weight146.16 g/mol
Exact Mass146.07
IUPAC Name4-fluoro-1-hydroxycyclohexane-1-carbaldehyde
SMILESO=CC1(O)CCC(F)CC1
InChIInChI=1S/C7H11FO2/c8-6-1-3-7(10,5-9)4-2-6/h5-6,10H,1-4H2
InChIKeyVNEBKCDPIYCYLU-UHFFFAOYSA-N
XLogP0.83
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.16
LogP ≤ 50.83
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-hydroxycyclohexane-1-carbaldehyde
CID 134421167
1-Hydroxy-2-oxocyclohexane-1-carbaldehyde
CID 59771917
2-(1-Hydroxycyclohexyl)-2-oxoacetaldehyde
CID 87649490
1-Hydroperoxycyclohexane-1-carbaldehyde
CID 174537932
1-Hydroxy-4-methylcyclohexane-1-carbaldehyde
CID 130591104

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-hydroxycyclohexane-1-carbaldehyde?
The IUPAC name of 4-fluoro-1-hydroxycyclohexane-1-carbaldehyde (CID 121280951) is 4-fluoro-1-hydroxycyclohexane-1-carbaldehyde.
What is the SMILES notation for 4-fluoro-1-hydroxycyclohexane-1-carbaldehyde?
The canonical SMILES for 4-fluoro-1-hydroxycyclohexane-1-carbaldehyde is O=CC1(O)CCC(F)CC1.
What is the InChIKey of 4-fluoro-1-hydroxycyclohexane-1-carbaldehyde?
The InChIKey is VNEBKCDPIYCYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FO2/c8-6-1-3-7(10,5-9)4-2-6/h5-6,10H,1-4H2.
What are the key properties of 4-fluoro-1-hydroxycyclohexane-1-carbaldehyde?
4-fluoro-1-hydroxycyclohexane-1-carbaldehyde has a molecular weight of 146.16 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-hydroxycyclohexane-1-carbaldehyde is sourced from PubChem (CID 121280951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).