1-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carbaldehyde

C12H18F3NO — CID 55050879

IUPAC1-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carbaldehyde
SMILESO=CC1(CN(CC(F)(F)F)C2CC2)CCCC1
InChIInChI=1S/C12H18F3NO/c13-12(14,15)8-16(10-3-4-10)7-11(9-17)5-1-2-6-11/h9-10H,1-8H2
InChIKeyIXGNPIKAIFSSNX-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.77
Rot. Bonds5

About 1-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carbaldehyde

1-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carbaldehyde (PubChem CID 55050879) has the molecular formula C12H18F3NO and a molecular weight of 249.28 g/mol. Its IUPAC name is 1-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carbaldehyde.

Molecular Properties

Compound Name1-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carbaldehyde
PubChem CID55050879
Molecular FormulaC12H18F3NO
Molecular Weight249.28 g/mol
Exact Mass249.13
IUPAC Name1-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carbaldehyde
SMILESO=CC1(CN(CC(F)(F)F)C2CC2)CCCC1
InChIInChI=1S/C12H18F3NO/c13-12(14,15)8-16(10-3-4-10)7-11(9-17)5-1-2-6-11/h9-10H,1-8H2
InChIKeyIXGNPIKAIFSSNX-UHFFFAOYSA-N
XLogP2.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.77
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-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carbaldehyde?
The IUPAC name of 1-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carbaldehyde (CID 55050879) is 1-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carbaldehyde.
What is the SMILES notation for 1-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carbaldehyde?
The canonical SMILES for 1-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carbaldehyde is O=CC1(CN(CC(F)(F)F)C2CC2)CCCC1.
What is the InChIKey of 1-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carbaldehyde?
The InChIKey is IXGNPIKAIFSSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NO/c13-12(14,15)8-16(10-3-4-10)7-11(9-17)5-1-2-6-11/h9-10H,1-8H2.
What are the key properties of 1-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carbaldehyde?
1-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carbaldehyde has a molecular weight of 249.28 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carbaldehyde is sourced from PubChem (CID 55050879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).