4-(2-fluoroethyl)oxane-4-carbaldehyde

C8H13FO2 — CID 126998004

IUPAC4-(2-fluoroethyl)oxane-4-carbaldehyde
SMILESO=CC1(CCF)CCOCC1
InChIInChI=1S/C8H13FO2/c9-4-1-8(7-10)2-5-11-6-3-8/h7H,1-6H2
InChIKeyUBYQLYJEGYTBKP-UHFFFAOYSA-N
MW160.19 g/mol
LogP1.34
Rot. Bonds3

About 4-(2-fluoroethyl)oxane-4-carbaldehyde

4-(2-fluoroethyl)oxane-4-carbaldehyde (PubChem CID 126998004) has the molecular formula C8H13FO2 and a molecular weight of 160.19 g/mol. Its IUPAC name is 4-(2-fluoroethyl)oxane-4-carbaldehyde.

Molecular Properties

Compound Name4-(2-fluoroethyl)oxane-4-carbaldehyde
PubChem CID126998004
Molecular FormulaC8H13FO2
Molecular Weight160.19 g/mol
Exact Mass160.09
IUPAC Name4-(2-fluoroethyl)oxane-4-carbaldehyde
SMILESO=CC1(CCF)CCOCC1
InChIInChI=1S/C8H13FO2/c9-4-1-8(7-10)2-5-11-6-3-8/h7H,1-6H2
InChIKeyUBYQLYJEGYTBKP-UHFFFAOYSA-N
XLogP1.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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 4-(2-fluoroethyl)oxane-4-carbaldehyde?
The IUPAC name of 4-(2-fluoroethyl)oxane-4-carbaldehyde (CID 126998004) is 4-(2-fluoroethyl)oxane-4-carbaldehyde.
What is the SMILES notation for 4-(2-fluoroethyl)oxane-4-carbaldehyde?
The canonical SMILES for 4-(2-fluoroethyl)oxane-4-carbaldehyde is O=CC1(CCF)CCOCC1.
What is the InChIKey of 4-(2-fluoroethyl)oxane-4-carbaldehyde?
The InChIKey is UBYQLYJEGYTBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FO2/c9-4-1-8(7-10)2-5-11-6-3-8/h7H,1-6H2.
What are the key properties of 4-(2-fluoroethyl)oxane-4-carbaldehyde?
4-(2-fluoroethyl)oxane-4-carbaldehyde has a molecular weight of 160.19 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethyl)oxane-4-carbaldehyde is sourced from PubChem (CID 126998004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).