5-(3,5-difluorophenyl)oxolane-2-carbaldehyde

C11H10F2O2 — CID 130584670

IUPAC5-(3,5-difluorophenyl)oxolane-2-carbaldehyde
SMILESO=CC1CCC(c2cc(F)cc(F)c2)O1
InChIInChI=1S/C11H10F2O2/c12-8-3-7(4-9(13)5-8)11-2-1-10(6-14)15-11/h3-6,10-11H,1-2H2
InChIKeyXKSSERXQOQZTMP-UHFFFAOYSA-N
MW212.19 g/mol
LogP2.38
Rot. Bonds2

About 5-(3,5-difluorophenyl)oxolane-2-carbaldehyde

5-(3,5-difluorophenyl)oxolane-2-carbaldehyde (PubChem CID 130584670) has the molecular formula C11H10F2O2 and a molecular weight of 212.19 g/mol. Its IUPAC name is 5-(3,5-difluorophenyl)oxolane-2-carbaldehyde.

Molecular Properties

Compound Name5-(3,5-difluorophenyl)oxolane-2-carbaldehyde
PubChem CID130584670
Molecular FormulaC11H10F2O2
Molecular Weight212.19 g/mol
Exact Mass212.06
IUPAC Name5-(3,5-difluorophenyl)oxolane-2-carbaldehyde
SMILESO=CC1CCC(c2cc(F)cc(F)c2)O1
InChIInChI=1S/C11H10F2O2/c12-8-3-7(4-9(13)5-8)11-2-1-10(6-14)15-11/h3-6,10-11H,1-2H2
InChIKeyXKSSERXQOQZTMP-UHFFFAOYSA-N
XLogP2.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.19
LogP ≤ 52.38
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

5-(4-methylphenyl)oxolane-2-carbaldehyde
CID 130584653
5-(4-ethylphenyl)oxolane-2-carbaldehyde
CID 130584532
5-(3,5-difluorophenyl)oxolan-2-one
CID 103689349
5,7-difluoro-3,4-dihydro-2H-chromene-2-carbaldehyde
CID 117050983
2-(3,5-difluorophenyl)oxan-4-amine
CID 106534386
(4S)-2-phenyl-1,3-dioxane-4-carbaldehyde
CID 15673073
1-amino-3-(3,5-difluorophenyl)piperidine-2-carbaldehyde
CID 174689805
(5R)-5-(3,5-difluorophenyl)pyrrolidin-2-one
CID 130659589
1-[(3,5-difluorophenyl)methyl]piperidine-4-carbaldehyde
CID 105408634
(4R)-4-(3,5-difluorophenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171184997
2-(3,5-difluorophenyl)-5-methylmorpholine
CID 78021784
1,3-difluoro-5-(4-methylcyclohexyl)benzene
CID 18720773

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluorophenyl)oxolane-2-carbaldehyde?
The IUPAC name of 5-(3,5-difluorophenyl)oxolane-2-carbaldehyde (CID 130584670) is 5-(3,5-difluorophenyl)oxolane-2-carbaldehyde.
What is the SMILES notation for 5-(3,5-difluorophenyl)oxolane-2-carbaldehyde?
The canonical SMILES for 5-(3,5-difluorophenyl)oxolane-2-carbaldehyde is O=CC1CCC(c2cc(F)cc(F)c2)O1.
What is the InChIKey of 5-(3,5-difluorophenyl)oxolane-2-carbaldehyde?
The InChIKey is XKSSERXQOQZTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2O2/c12-8-3-7(4-9(13)5-8)11-2-1-10(6-14)15-11/h3-6,10-11H,1-2H2.
What are the key properties of 5-(3,5-difluorophenyl)oxolane-2-carbaldehyde?
5-(3,5-difluorophenyl)oxolane-2-carbaldehyde has a molecular weight of 212.19 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-difluorophenyl)oxolane-2-carbaldehyde is sourced from PubChem (CID 130584670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).