2-fluoro-4-methoxycyclohexane-1-carbaldehyde

C8H13FO2 — CID 89112696

IUPAC2-fluoro-4-methoxycyclohexane-1-carbaldehyde
SMILESCOC1CCC(C=O)C(F)C1
InChIInChI=1S/C8H13FO2/c1-11-7-3-2-6(5-10)8(9)4-7/h5-8H,2-4H2,1H3
InChIKeyMBZTVURKPZVRMZ-UHFFFAOYSA-N
MW160.19 g/mol
LogP1.34
Rot. Bonds2

About 2-fluoro-4-methoxycyclohexane-1-carbaldehyde

2-fluoro-4-methoxycyclohexane-1-carbaldehyde (PubChem CID 89112696) has the molecular formula C8H13FO2 and a molecular weight of 160.19 g/mol. Its IUPAC name is 2-fluoro-4-methoxycyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name2-fluoro-4-methoxycyclohexane-1-carbaldehyde
PubChem CID89112696
Molecular FormulaC8H13FO2
Molecular Weight160.19 g/mol
Exact Mass160.09
IUPAC Name2-fluoro-4-methoxycyclohexane-1-carbaldehyde
SMILESCOC1CCC(C=O)C(F)C1
InChIInChI=1S/C8H13FO2/c1-11-7-3-2-6(5-10)8(9)4-7/h5-8H,2-4H2,1H3
InChIKeyMBZTVURKPZVRMZ-UHFFFAOYSA-N
XLogP1.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methoxycyclohexane-1-carbaldehyde?
The IUPAC name of 2-fluoro-4-methoxycyclohexane-1-carbaldehyde (CID 89112696) is 2-fluoro-4-methoxycyclohexane-1-carbaldehyde.
What is the SMILES notation for 2-fluoro-4-methoxycyclohexane-1-carbaldehyde?
The canonical SMILES for 2-fluoro-4-methoxycyclohexane-1-carbaldehyde is COC1CCC(C=O)C(F)C1.
What is the InChIKey of 2-fluoro-4-methoxycyclohexane-1-carbaldehyde?
The InChIKey is MBZTVURKPZVRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FO2/c1-11-7-3-2-6(5-10)8(9)4-7/h5-8H,2-4H2,1H3.
What are the key properties of 2-fluoro-4-methoxycyclohexane-1-carbaldehyde?
2-fluoro-4-methoxycyclohexane-1-carbaldehyde has a molecular weight of 160.19 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methoxycyclohexane-1-carbaldehyde is sourced from PubChem (CID 89112696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).