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

C11H18F3NO — CID 62276977

IUPAC1-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carbaldehyde
SMILESCCN(CC1(CCCC1)C=O)CC(F)(F)F
InChIInChI=1S/C11H18F3NO/c1-2-15(8-11(12,13)14)7-10(9-16)5-3-4-6-10/h9H,2-8H2,1H3
InChIKeyFGHGQTLUOWVYBK-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.60
Rot. Bonds5

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

1-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carbaldehyde (PubChem CID 62276977) has the molecular formula C11H18F3NO and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carbaldehyde.

Molecular Properties

Compound Name1-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carbaldehyde
PubChem CID62276977
Molecular FormulaC11H18F3NO
Molecular Weight237.26 g/mol
Exact Mass237.13
IUPAC Name1-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carbaldehyde
SMILESCCN(CC1(CCCC1)C=O)CC(F)(F)F
InChIInChI=1S/C11H18F3NO/c1-2-15(8-11(12,13)14)7-10(9-16)5-3-4-6-10/h9H,2-8H2,1H3
InChIKeyFGHGQTLUOWVYBK-UHFFFAOYSA-N
XLogP2.60
TPSA20.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity234

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carbaldehyde?
The IUPAC name of 1-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carbaldehyde (CID 62276977) is 1-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carbaldehyde.
What is the SMILES notation for 1-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carbaldehyde?
The canonical SMILES for 1-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carbaldehyde is CCN(CC1(CCCC1)C=O)CC(F)(F)F.
What is the InChIKey of 1-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carbaldehyde?
The InChIKey is FGHGQTLUOWVYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO/c1-2-15(8-11(12,13)14)7-10(9-16)5-3-4-6-10/h9H,2-8H2,1H3.
What are the key properties of 1-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carbaldehyde?
1-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carbaldehyde has a molecular weight of 237.26 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carbaldehyde is sourced from PubChem (CID 62276977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).