4,4-difluoropiperidine;methane;2-methylpropanal

C10H21F2NO — CID 166549261

IUPAC4,4-difluoropiperidine;methane;2-methylpropanal
SMILESC.CC(C)C=O.FC1(F)CCNCC1
InChIInChI=1S/C5H9F2N.C4H8O.CH4/c6-5(7)1-3-8-4-2-5;1-4(2)3-5;/h8H,1-4H2;3-4H,1-2H3;1H4
InChIKeyYKBKMAATRRGMKX-UHFFFAOYSA-N
MW209.28 g/mol
LogP2.48
Rot. Bonds1

About 4,4-difluoropiperidine;methane;2-methylpropanal

4,4-difluoropiperidine;methane;2-methylpropanal (PubChem CID 166549261) has the molecular formula C10H21F2NO and a molecular weight of 209.28 g/mol. Its IUPAC name is 4,4-difluoropiperidine;methane;2-methylpropanal.

Molecular Properties

Compound Name4,4-difluoropiperidine;methane;2-methylpropanal
PubChem CID166549261
Molecular FormulaC10H21F2NO
Molecular Weight209.28 g/mol
Exact Mass209.16
IUPAC Name4,4-difluoropiperidine;methane;2-methylpropanal
SMILESC.CC(C)C=O.FC1(F)CCNCC1
InChIInChI=1S/C5H9F2N.C4H8O.CH4/c6-5(7)1-3-8-4-2-5;1-4(2)3-5;/h8H,1-4H2;3-4H,1-2H3;1H4
InChIKeyYKBKMAATRRGMKX-UHFFFAOYSA-N
XLogP2.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.28
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5,5-Difluoropiperidine-3-carbaldehyde;ethane;methanamine
CID 153331044
(3R,4S)-4-methoxy-3-methylpiperidine;2,2,2-trifluoroacetaldehyde
CID 159697562
Piperidine;2,2,2-trifluoroacetaldehyde
CID 161949843
2-Methylpropanal;piperidine
CID 22388706
Acetaldehyde;4-fluoropiperidine
CID 143837102
Piperidine;propanal
CID 145408310
Acetaldehyde;ethane;piperidine
CID 156741436
acetaldehyde;(3R)-3-fluoropiperidine
CID 165137885
Butanal;piperidine
CID 174367249
2,2-Dimethylpropanal;piperidine
CID 174930616
3-Methylpiperidine;propanal
CID 178176033

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoropiperidine;methane;2-methylpropanal?
The IUPAC name of 4,4-difluoropiperidine;methane;2-methylpropanal (CID 166549261) is 4,4-difluoropiperidine;methane;2-methylpropanal.
What is the SMILES notation for 4,4-difluoropiperidine;methane;2-methylpropanal?
The canonical SMILES for 4,4-difluoropiperidine;methane;2-methylpropanal is C.CC(C)C=O.FC1(F)CCNCC1.
What is the InChIKey of 4,4-difluoropiperidine;methane;2-methylpropanal?
The InChIKey is YKBKMAATRRGMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2N.C4H8O.CH4/c6-5(7)1-3-8-4-2-5;1-4(2)3-5;/h8H,1-4H2;3-4H,1-2H3;1H4.
What are the key properties of 4,4-difluoropiperidine;methane;2-methylpropanal?
4,4-difluoropiperidine;methane;2-methylpropanal has a molecular weight of 209.28 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoropiperidine;methane;2-methylpropanal is sourced from PubChem (CID 166549261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).