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

C12H20F3NO — CID 62276596

IUPAC1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carbaldehyde
SMILESCC(C)N(CC(F)(F)F)CC1(C=O)CCCC1
InChIInChI=1S/C12H20F3NO/c1-10(2)16(8-12(13,14)15)7-11(9-17)5-3-4-6-11/h9-10H,3-8H2,1-2H3
InChIKeyOYERNVNLIHYBCQ-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.02
Rot. Bonds5

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

1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carbaldehyde (PubChem CID 62276596) has the molecular formula C12H20F3NO and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carbaldehyde.

Molecular Properties

Compound Name1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carbaldehyde
PubChem CID62276596
Molecular FormulaC12H20F3NO
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC Name1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carbaldehyde
SMILESCC(C)N(CC(F)(F)F)CC1(C=O)CCCC1
InChIInChI=1S/C12H20F3NO/c1-10(2)16(8-12(13,14)15)7-11(9-17)5-3-4-6-11/h9-10H,3-8H2,1-2H3
InChIKeyOYERNVNLIHYBCQ-UHFFFAOYSA-N
XLogP3.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.02
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-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carbaldehyde?
The IUPAC name of 1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carbaldehyde (CID 62276596) is 1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carbaldehyde.
What is the SMILES notation for 1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carbaldehyde?
The canonical SMILES for 1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carbaldehyde is CC(C)N(CC(F)(F)F)CC1(C=O)CCCC1.
What is the InChIKey of 1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carbaldehyde?
The InChIKey is OYERNVNLIHYBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO/c1-10(2)16(8-12(13,14)15)7-11(9-17)5-3-4-6-11/h9-10H,3-8H2,1-2H3.
What are the key properties of 1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carbaldehyde?
1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carbaldehyde has a molecular weight of 251.29 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carbaldehyde is sourced from PubChem (CID 62276596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).