1-(3,3-difluorobutyl)piperidine-3-carbaldehyde

C10H17F2NO — CID 84673167

IUPAC1-(3,3-difluorobutyl)piperidine-3-carbaldehyde
SMILESCC(F)(F)CCN1CCCC(C=O)C1
InChIInChI=1S/C10H17F2NO/c1-10(11,12)4-6-13-5-2-3-9(7-13)8-14/h8-9H,2-7H2,1H3
InChIKeyGGGKKXMNFAEMKX-UHFFFAOYSA-N
MW205.25 g/mol
LogP1.94
Rot. Bonds4

About 1-(3,3-difluorobutyl)piperidine-3-carbaldehyde

1-(3,3-difluorobutyl)piperidine-3-carbaldehyde (PubChem CID 84673167) has the molecular formula C10H17F2NO and a molecular weight of 205.25 g/mol. Its IUPAC name is 1-(3,3-difluorobutyl)piperidine-3-carbaldehyde.

Molecular Properties

Compound Name1-(3,3-difluorobutyl)piperidine-3-carbaldehyde
PubChem CID84673167
Molecular FormulaC10H17F2NO
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name1-(3,3-difluorobutyl)piperidine-3-carbaldehyde
SMILESCC(F)(F)CCN1CCCC(C=O)C1
InChIInChI=1S/C10H17F2NO/c1-10(11,12)4-6-13-5-2-3-9(7-13)8-14/h8-9H,2-7H2,1H3
InChIKeyGGGKKXMNFAEMKX-UHFFFAOYSA-N
XLogP1.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 51.94
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 1-(3,3-difluorobutyl)piperidine-3-carbaldehyde?
The IUPAC name of 1-(3,3-difluorobutyl)piperidine-3-carbaldehyde (CID 84673167) is 1-(3,3-difluorobutyl)piperidine-3-carbaldehyde.
What is the SMILES notation for 1-(3,3-difluorobutyl)piperidine-3-carbaldehyde?
The canonical SMILES for 1-(3,3-difluorobutyl)piperidine-3-carbaldehyde is CC(F)(F)CCN1CCCC(C=O)C1.
What is the InChIKey of 1-(3,3-difluorobutyl)piperidine-3-carbaldehyde?
The InChIKey is GGGKKXMNFAEMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO/c1-10(11,12)4-6-13-5-2-3-9(7-13)8-14/h8-9H,2-7H2,1H3.
What are the key properties of 1-(3,3-difluorobutyl)piperidine-3-carbaldehyde?
1-(3,3-difluorobutyl)piperidine-3-carbaldehyde has a molecular weight of 205.25 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorobutyl)piperidine-3-carbaldehyde is sourced from PubChem (CID 84673167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).