1-(1,1,3-trifluoropropan-2-yl)piperidine-4-carbaldehyde

C9H14F3NO — CID 175543906

IUPAC1-(1,1,3-trifluoropropan-2-yl)piperidine-4-carbaldehyde
SMILESO=CC1CCN(C(CF)C(F)F)CC1
InChIInChI=1S/C9H14F3NO/c10-5-8(9(11)12)13-3-1-7(6-14)2-4-13/h6-9H,1-5H2
InChIKeyKRXQHDOFJRSJAZ-UHFFFAOYSA-N
MW209.21 g/mol
LogP1.50
Rot. Bonds4

About 1-(1,1,3-trifluoropropan-2-yl)piperidine-4-carbaldehyde

1-(1,1,3-trifluoropropan-2-yl)piperidine-4-carbaldehyde (PubChem CID 175543906) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is 1-(1,1,3-trifluoropropan-2-yl)piperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-(1,1,3-trifluoropropan-2-yl)piperidine-4-carbaldehyde
PubChem CID175543906
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC Name1-(1,1,3-trifluoropropan-2-yl)piperidine-4-carbaldehyde
SMILESO=CC1CCN(C(CF)C(F)F)CC1
InChIInChI=1S/C9H14F3NO/c10-5-8(9(11)12)13-3-1-7(6-14)2-4-13/h6-9H,1-5H2
InChIKeyKRXQHDOFJRSJAZ-UHFFFAOYSA-N
XLogP1.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 51.50
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-Ethylpiperidine-4-carbaldehyde
CID 20613249
1-(Trifluoroacetyl)piperidine-4-carbaldehyde
CID 45081042
1-Cyclopentylpiperidine-4-carbaldehyde
CID 57588924
1-Cyclopropylpiperidine-4-carbaldehyde
CID 83905090
1-Cyclobutyl-4-piperidinecarboxaldehyde
CID 84765312
1-(Pentan-3-yl)piperidine-4-carbaldehyde
CID 80098853
1-(2,2,2-Trifluoroethyl)piperidine-4-carbaldehyde
CID 62654280
1-(Difluoromethyl)piperidine-4-carbaldehyde
CID 62656642
1-(3,3,3-Trifluoropropyl)piperidine-4-carbaldehyde
CID 64566362
1-(2,2-Difluoropropyl)piperidine-4-carbaldehyde
CID 84663158
4-Fluoro-1-methylpiperidine-4-carbaldehyde
CID 117889591
1-(Trifluoromethyl)piperidine-4-carbaldehyde
CID 118903174

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,3-trifluoropropan-2-yl)piperidine-4-carbaldehyde?
The IUPAC name of 1-(1,1,3-trifluoropropan-2-yl)piperidine-4-carbaldehyde (CID 175543906) is 1-(1,1,3-trifluoropropan-2-yl)piperidine-4-carbaldehyde.
What is the SMILES notation for 1-(1,1,3-trifluoropropan-2-yl)piperidine-4-carbaldehyde?
The canonical SMILES for 1-(1,1,3-trifluoropropan-2-yl)piperidine-4-carbaldehyde is O=CC1CCN(C(CF)C(F)F)CC1.
What is the InChIKey of 1-(1,1,3-trifluoropropan-2-yl)piperidine-4-carbaldehyde?
The InChIKey is KRXQHDOFJRSJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO/c10-5-8(9(11)12)13-3-1-7(6-14)2-4-13/h6-9H,1-5H2.
What are the key properties of 1-(1,1,3-trifluoropropan-2-yl)piperidine-4-carbaldehyde?
1-(1,1,3-trifluoropropan-2-yl)piperidine-4-carbaldehyde has a molecular weight of 209.21 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,3-trifluoropropan-2-yl)piperidine-4-carbaldehyde is sourced from PubChem (CID 175543906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).