3-(difluoromethyl)oxolane-2-carbaldehyde

C6H8F2O2 — CID 174557870

IUPAC3-(difluoromethyl)oxolane-2-carbaldehyde
SMILESO=CC1OCCC1C(F)F
InChIInChI=1S/C6H8F2O2/c7-6(8)4-1-2-10-5(4)3-9/h3-6H,1-2H2
InChIKeyDOAMSFVVHHAIGI-UHFFFAOYSA-N
MW150.12 g/mol
LogP0.86
Rot. Bonds2

About 3-(difluoromethyl)oxolane-2-carbaldehyde

3-(difluoromethyl)oxolane-2-carbaldehyde (PubChem CID 174557870) has the molecular formula C6H8F2O2 and a molecular weight of 150.12 g/mol. Its IUPAC name is 3-(difluoromethyl)oxolane-2-carbaldehyde.

Molecular Properties

Compound Name3-(difluoromethyl)oxolane-2-carbaldehyde
PubChem CID174557870
Molecular FormulaC6H8F2O2
Molecular Weight150.12 g/mol
Exact Mass150.05
IUPAC Name3-(difluoromethyl)oxolane-2-carbaldehyde
SMILESO=CC1OCCC1C(F)F
InChIInChI=1S/C6H8F2O2/c7-6(8)4-1-2-10-5(4)3-9/h3-6H,1-2H2
InChIKeyDOAMSFVVHHAIGI-UHFFFAOYSA-N
XLogP0.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.12
LogP ≤ 50.86
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 3-(difluoromethyl)oxolane-2-carbaldehyde?
The IUPAC name of 3-(difluoromethyl)oxolane-2-carbaldehyde (CID 174557870) is 3-(difluoromethyl)oxolane-2-carbaldehyde.
What is the SMILES notation for 3-(difluoromethyl)oxolane-2-carbaldehyde?
The canonical SMILES for 3-(difluoromethyl)oxolane-2-carbaldehyde is O=CC1OCCC1C(F)F.
What is the InChIKey of 3-(difluoromethyl)oxolane-2-carbaldehyde?
The InChIKey is DOAMSFVVHHAIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2O2/c7-6(8)4-1-2-10-5(4)3-9/h3-6H,1-2H2.
What are the key properties of 3-(difluoromethyl)oxolane-2-carbaldehyde?
3-(difluoromethyl)oxolane-2-carbaldehyde has a molecular weight of 150.12 g/mol, XLogP of 0.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)oxolane-2-carbaldehyde is sourced from PubChem (CID 174557870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).