2-chloro-6-fluorocyclohexane-1-carbaldehyde

C7H10ClFO — CID 88915349

IUPAC2-chloro-6-fluorocyclohexane-1-carbaldehyde
SMILESO=CC1C(F)CCCC1Cl
InChIInChI=1S/C7H10ClFO/c8-6-2-1-3-7(9)5(6)4-10/h4-7H,1-3H2
InChIKeyPRRSKLKQTNUWPY-UHFFFAOYSA-N
MW164.61 g/mol
LogP1.93
Rot. Bonds1

About 2-chloro-6-fluorocyclohexane-1-carbaldehyde

2-chloro-6-fluorocyclohexane-1-carbaldehyde (PubChem CID 88915349) has the molecular formula C7H10ClFO and a molecular weight of 164.61 g/mol. Its IUPAC name is 2-chloro-6-fluorocyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name2-chloro-6-fluorocyclohexane-1-carbaldehyde
PubChem CID88915349
Molecular FormulaC7H10ClFO
Molecular Weight164.61 g/mol
Exact Mass164.04
IUPAC Name2-chloro-6-fluorocyclohexane-1-carbaldehyde
SMILESO=CC1C(F)CCCC1Cl
InChIInChI=1S/C7H10ClFO/c8-6-2-1-3-7(9)5(6)4-10/h4-7H,1-3H2
InChIKeyPRRSKLKQTNUWPY-UHFFFAOYSA-N
XLogP1.93
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.61
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluorocyclohexane-1-carbaldehyde?
The IUPAC name of 2-chloro-6-fluorocyclohexane-1-carbaldehyde (CID 88915349) is 2-chloro-6-fluorocyclohexane-1-carbaldehyde.
What is the SMILES notation for 2-chloro-6-fluorocyclohexane-1-carbaldehyde?
The canonical SMILES for 2-chloro-6-fluorocyclohexane-1-carbaldehyde is O=CC1C(F)CCCC1Cl.
What is the InChIKey of 2-chloro-6-fluorocyclohexane-1-carbaldehyde?
The InChIKey is PRRSKLKQTNUWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClFO/c8-6-2-1-3-7(9)5(6)4-10/h4-7H,1-3H2.
What are the key properties of 2-chloro-6-fluorocyclohexane-1-carbaldehyde?
2-chloro-6-fluorocyclohexane-1-carbaldehyde has a molecular weight of 164.61 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluorocyclohexane-1-carbaldehyde is sourced from PubChem (CID 88915349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).