2-fluoro-4-(methoxymethyl)cyclohexane-1-carbaldehyde

C9H15FO2 — CID 163779159

IUPAC2-fluoro-4-(methoxymethyl)cyclohexane-1-carbaldehyde
SMILESCOCC1CCC(C=O)C(F)C1
InChIInChI=1S/C9H15FO2/c1-12-6-7-2-3-8(5-11)9(10)4-7/h5,7-9H,2-4,6H2,1H3
InChIKeyMNCMBUFMGMXOBJ-UHFFFAOYSA-N
MW174.21 g/mol
LogP1.59
Rot. Bonds3

About 2-fluoro-4-(methoxymethyl)cyclohexane-1-carbaldehyde

2-fluoro-4-(methoxymethyl)cyclohexane-1-carbaldehyde (PubChem CID 163779159) has the molecular formula C9H15FO2 and a molecular weight of 174.21 g/mol. Its IUPAC name is 2-fluoro-4-(methoxymethyl)cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name2-fluoro-4-(methoxymethyl)cyclohexane-1-carbaldehyde
PubChem CID163779159
Molecular FormulaC9H15FO2
Molecular Weight174.21 g/mol
Exact Mass174.11
IUPAC Name2-fluoro-4-(methoxymethyl)cyclohexane-1-carbaldehyde
SMILESCOCC1CCC(C=O)C(F)C1
InChIInChI=1S/C9H15FO2/c1-12-6-7-2-3-8(5-11)9(10)4-7/h5,7-9H,2-4,6H2,1H3
InChIKeyMNCMBUFMGMXOBJ-UHFFFAOYSA-N
XLogP1.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 51.59
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

Methyl 4-formylcyclohexane-1-carboxylate
CID 11252253
Ethyl 4-fluoro-4-methyl-cyclohexanecarboxylate
CID 57945252
Ethyl 4-(fluoromethyl)cyclohexane-1-carboxylate
CID 59569195
Methyl 4-(fluoromethyl)cyclohexanecarboxylate
CID 89945341
Dimethyl 1-fluorocyclohexane-1,4-dicarboxylate
CID 118208082
Methyl 2,6-difluoro-4-methylcyclohexane-1-carboxylate
CID 142082197
Methyl 2,3-difluoro-4-methylcyclohexane-1-carboxylate
CID 142082202
Methyl 2-fluoro-4-methylcyclohexane-1-carboxylate
CID 145831010
Methyl 1-fluoro-4-methyl-cyclohexanecarboxylate
CID 153456377
Butyl 4-carbonofluoridoylcyclohexane-1-carboxylate
CID 155468002
Methyl 1-fluoro-4-formylcyclohexane-1-carboxylate
CID 170330264
Tert-butyl 1-fluoro-4-formylcyclohexane-1-carboxylate
CID 170359511

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(methoxymethyl)cyclohexane-1-carbaldehyde?
The IUPAC name of 2-fluoro-4-(methoxymethyl)cyclohexane-1-carbaldehyde (CID 163779159) is 2-fluoro-4-(methoxymethyl)cyclohexane-1-carbaldehyde.
What is the SMILES notation for 2-fluoro-4-(methoxymethyl)cyclohexane-1-carbaldehyde?
The canonical SMILES for 2-fluoro-4-(methoxymethyl)cyclohexane-1-carbaldehyde is COCC1CCC(C=O)C(F)C1.
What is the InChIKey of 2-fluoro-4-(methoxymethyl)cyclohexane-1-carbaldehyde?
The InChIKey is MNCMBUFMGMXOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FO2/c1-12-6-7-2-3-8(5-11)9(10)4-7/h5,7-9H,2-4,6H2,1H3.
What are the key properties of 2-fluoro-4-(methoxymethyl)cyclohexane-1-carbaldehyde?
2-fluoro-4-(methoxymethyl)cyclohexane-1-carbaldehyde has a molecular weight of 174.21 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(methoxymethyl)cyclohexane-1-carbaldehyde is sourced from PubChem (CID 163779159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).