3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanal

C10H16F3NO — CID 62277357

IUPAC3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanal
SMILESCC(C)(C=O)CN(CC(F)(F)F)C1CC1
InChIInChI=1S/C10H16F3NO/c1-9(2,7-15)5-14(8-3-4-8)6-10(11,12)13/h7-8H,3-6H2,1-2H3
InChIKeyJJDJFASUIXTJGK-UHFFFAOYSA-N
MW223.24 g/mol
LogP2.24
Rot. Bonds5

About 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanal

3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanal (PubChem CID 62277357) has the molecular formula C10H16F3NO and a molecular weight of 223.24 g/mol. Its IUPAC name is 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanal.

Molecular Properties

Compound Name3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanal
PubChem CID62277357
Molecular FormulaC10H16F3NO
Molecular Weight223.24 g/mol
Exact Mass223.12
IUPAC Name3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanal
SMILESCC(C)(C=O)CN(CC(F)(F)F)C1CC1
InChIInChI=1S/C10H16F3NO/c1-9(2,7-15)5-14(8-3-4-8)6-10(11,12)13/h7-8H,3-6H2,1-2H3
InChIKeyJJDJFASUIXTJGK-UHFFFAOYSA-N
XLogP2.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 52.24
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 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanal?
The IUPAC name of 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanal (CID 62277357) is 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanal.
What is the SMILES notation for 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanal?
The canonical SMILES for 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanal is CC(C)(C=O)CN(CC(F)(F)F)C1CC1.
What is the InChIKey of 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanal?
The InChIKey is JJDJFASUIXTJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO/c1-9(2,7-15)5-14(8-3-4-8)6-10(11,12)13/h7-8H,3-6H2,1-2H3.
What are the key properties of 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanal?
3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanal has a molecular weight of 223.24 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanal is sourced from PubChem (CID 62277357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).