4-(4,4-difluoropiperidine-1-carbonyl)-1,3-oxazolidine-2-carbaldehyde

C10H14F2N2O3 — CID 174604241

IUPAC4-(4,4-difluoropiperidine-1-carbonyl)-1,3-oxazolidine-2-carbaldehyde
SMILESO=CC1NC(C(=O)N2CCC(F)(F)CC2)CO1
InChIInChI=1S/C10H14F2N2O3/c11-10(12)1-3-14(4-2-10)9(16)7-6-17-8(5-15)13-7/h5,7-8,13H,1-4,6H2
InChIKeyPHWKKXDUUMGJQC-UHFFFAOYSA-N
MW248.23 g/mol
LogP-0.24
Rot. Bonds2

About 4-(4,4-difluoropiperidine-1-carbonyl)-1,3-oxazolidine-2-carbaldehyde

4-(4,4-difluoropiperidine-1-carbonyl)-1,3-oxazolidine-2-carbaldehyde (PubChem CID 174604241) has the molecular formula C10H14F2N2O3 and a molecular weight of 248.23 g/mol. Its IUPAC name is 4-(4,4-difluoropiperidine-1-carbonyl)-1,3-oxazolidine-2-carbaldehyde.

Molecular Properties

Compound Name4-(4,4-difluoropiperidine-1-carbonyl)-1,3-oxazolidine-2-carbaldehyde
PubChem CID174604241
Molecular FormulaC10H14F2N2O3
Molecular Weight248.23 g/mol
Exact Mass248.10
IUPAC Name4-(4,4-difluoropiperidine-1-carbonyl)-1,3-oxazolidine-2-carbaldehyde
SMILESO=CC1NC(C(=O)N2CCC(F)(F)CC2)CO1
InChIInChI=1S/C10H14F2N2O3/c11-10(12)1-3-14(4-2-10)9(16)7-6-17-8(5-15)13-7/h5,7-8,13H,1-4,6H2
InChIKeyPHWKKXDUUMGJQC-UHFFFAOYSA-N
XLogP-0.24
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(4,4-difluoropiperidine-1-carbonyl)-1,3-oxazolidine-2-carbaldehyde?
The IUPAC name of 4-(4,4-difluoropiperidine-1-carbonyl)-1,3-oxazolidine-2-carbaldehyde (CID 174604241) is 4-(4,4-difluoropiperidine-1-carbonyl)-1,3-oxazolidine-2-carbaldehyde.
What is the SMILES notation for 4-(4,4-difluoropiperidine-1-carbonyl)-1,3-oxazolidine-2-carbaldehyde?
The canonical SMILES for 4-(4,4-difluoropiperidine-1-carbonyl)-1,3-oxazolidine-2-carbaldehyde is O=CC1NC(C(=O)N2CCC(F)(F)CC2)CO1.
What is the InChIKey of 4-(4,4-difluoropiperidine-1-carbonyl)-1,3-oxazolidine-2-carbaldehyde?
The InChIKey is PHWKKXDUUMGJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O3/c11-10(12)1-3-14(4-2-10)9(16)7-6-17-8(5-15)13-7/h5,7-8,13H,1-4,6H2.
What are the key properties of 4-(4,4-difluoropiperidine-1-carbonyl)-1,3-oxazolidine-2-carbaldehyde?
4-(4,4-difluoropiperidine-1-carbonyl)-1,3-oxazolidine-2-carbaldehyde has a molecular weight of 248.23 g/mol, XLogP of -0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-difluoropiperidine-1-carbonyl)-1,3-oxazolidine-2-carbaldehyde is sourced from PubChem (CID 174604241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).