3,3-difluoropiperidine-2-carbaldehyde

C6H9F2NO — CID 174838107

IUPAC3,3-difluoropiperidine-2-carbaldehyde
SMILESO=CC1NCCCC1(F)F
InChIInChI=1S/C6H9F2NO/c7-6(8)2-1-3-9-5(6)4-10/h4-5,9H,1-3H2
InChIKeyUZVNSOBQPRYPEH-UHFFFAOYSA-N
MW149.14 g/mol
LogP0.57
Rot. Bonds1

About 3,3-difluoropiperidine-2-carbaldehyde

3,3-difluoropiperidine-2-carbaldehyde (PubChem CID 174838107) has the molecular formula C6H9F2NO and a molecular weight of 149.14 g/mol. Its IUPAC name is 3,3-difluoropiperidine-2-carbaldehyde.

Molecular Properties

Compound Name3,3-difluoropiperidine-2-carbaldehyde
PubChem CID174838107
Molecular FormulaC6H9F2NO
Molecular Weight149.14 g/mol
Exact Mass149.07
IUPAC Name3,3-difluoropiperidine-2-carbaldehyde
SMILESO=CC1NCCCC1(F)F
InChIInChI=1S/C6H9F2NO/c7-6(8)2-1-3-9-5(6)4-10/h4-5,9H,1-3H2
InChIKeyUZVNSOBQPRYPEH-UHFFFAOYSA-N
XLogP0.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.14
LogP ≤ 50.57
H-Bond Donors ≤ 51
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 3,3-difluoropiperidine-2-carbaldehyde?
The IUPAC name of 3,3-difluoropiperidine-2-carbaldehyde (CID 174838107) is 3,3-difluoropiperidine-2-carbaldehyde.
What is the SMILES notation for 3,3-difluoropiperidine-2-carbaldehyde?
The canonical SMILES for 3,3-difluoropiperidine-2-carbaldehyde is O=CC1NCCCC1(F)F.
What is the InChIKey of 3,3-difluoropiperidine-2-carbaldehyde?
The InChIKey is UZVNSOBQPRYPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO/c7-6(8)2-1-3-9-5(6)4-10/h4-5,9H,1-3H2.
What are the key properties of 3,3-difluoropiperidine-2-carbaldehyde?
3,3-difluoropiperidine-2-carbaldehyde has a molecular weight of 149.14 g/mol, XLogP of 0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoropiperidine-2-carbaldehyde is sourced from PubChem (CID 174838107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).