1-(3,3,3-trifluoropropyl)piperidine-2-carbaldehyde

C9H14F3NO — CID 64566361

IUPAC1-(3,3,3-trifluoropropyl)piperidine-2-carbaldehyde
SMILESO=CC1CCCCN1CCC(F)(F)F
InChIInChI=1S/C9H14F3NO/c10-9(11,12)4-6-13-5-2-1-3-8(13)7-14/h7-8H,1-6H2
InChIKeyVMZCQQYMCZGURX-UHFFFAOYSA-N
MW209.21 g/mol
LogP1.99
Rot. Bonds3

About 1-(3,3,3-trifluoropropyl)piperidine-2-carbaldehyde

1-(3,3,3-trifluoropropyl)piperidine-2-carbaldehyde (PubChem CID 64566361) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is 1-(3,3,3-trifluoropropyl)piperidine-2-carbaldehyde.

Molecular Properties

Compound Name1-(3,3,3-trifluoropropyl)piperidine-2-carbaldehyde
PubChem CID64566361
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC Name1-(3,3,3-trifluoropropyl)piperidine-2-carbaldehyde
SMILESO=CC1CCCCN1CCC(F)(F)F
InChIInChI=1S/C9H14F3NO/c10-9(11,12)4-6-13-5-2-1-3-8(13)7-14/h7-8H,1-6H2
InChIKeyVMZCQQYMCZGURX-UHFFFAOYSA-N
XLogP1.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,2,2-Trifluoroethyl)piperidine-2-carbaldehyde
CID 62654422
1-(Difluoromethyl)piperidine-2-carbaldehyde
CID 62656779
(2S)-1-(2,2,2-trifluoroethyl)piperidine-2-carbonyl iodide
CID 117790424
4,4-Difluoro-1-methylpiperidine-2-carbaldehyde
CID 117891666
5,5-Difluoro-1-methylpiperidine-2-carbaldehyde
CID 122416818
(2S)-4,4-difluoro-1-methylpiperidine-2-carbonyl fluoride
CID 134570791
1-Fluoropiperidine-2-carbaldehyde
CID 150894585
5,5-Difluoropiperidine-2-carbaldehyde
CID 156542763
1-[4-[Propan-2-yl(4,4,4-trifluorobutan-2-yl)amino]butyl]piperidine-2-carbaldehyde
CID 174452409
3,3-Difluoropiperidine-2-carbaldehyde
CID 174838107
1-(1,2,2-Trifluoroethyl)piperidine-2-carbaldehyde
CID 175417338
2-(4,4-Difluoropiperidin-1-yl)propanal
CID 175762079

Frequently Asked Questions

What is the IUPAC name of 1-(3,3,3-trifluoropropyl)piperidine-2-carbaldehyde?
The IUPAC name of 1-(3,3,3-trifluoropropyl)piperidine-2-carbaldehyde (CID 64566361) is 1-(3,3,3-trifluoropropyl)piperidine-2-carbaldehyde.
What is the SMILES notation for 1-(3,3,3-trifluoropropyl)piperidine-2-carbaldehyde?
The canonical SMILES for 1-(3,3,3-trifluoropropyl)piperidine-2-carbaldehyde is O=CC1CCCCN1CCC(F)(F)F.
What is the InChIKey of 1-(3,3,3-trifluoropropyl)piperidine-2-carbaldehyde?
The InChIKey is VMZCQQYMCZGURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO/c10-9(11,12)4-6-13-5-2-1-3-8(13)7-14/h7-8H,1-6H2.
What are the key properties of 1-(3,3,3-trifluoropropyl)piperidine-2-carbaldehyde?
1-(3,3,3-trifluoropropyl)piperidine-2-carbaldehyde has a molecular weight of 209.21 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,3-trifluoropropyl)piperidine-2-carbaldehyde is sourced from PubChem (CID 64566361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).