2-(cyclopropylamino)-4-(2,2,2-trifluoroethoxy)butanamide

C9H15F3N2O2 — CID 63040262

IUPAC2-(cyclopropylamino)-4-(2,2,2-trifluoroethoxy)butanamide
SMILESNC(=O)C(CCOCC(F)(F)F)NC1CC1
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)5-16-4-3-7(8(13)15)14-6-1-2-6/h6-7,14H,1-5H2,(H2,13,15)
InChIKeyFALYATDCXXJRDO-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.56
Rot. Bonds7

About 2-(cyclopropylamino)-4-(2,2,2-trifluoroethoxy)butanamide

2-(cyclopropylamino)-4-(2,2,2-trifluoroethoxy)butanamide (PubChem CID 63040262) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-(2,2,2-trifluoroethoxy)butanamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-(2,2,2-trifluoroethoxy)butanamide
PubChem CID63040262
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name2-(cyclopropylamino)-4-(2,2,2-trifluoroethoxy)butanamide
SMILESNC(=O)C(CCOCC(F)(F)F)NC1CC1
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)5-16-4-3-7(8(13)15)14-6-1-2-6/h6-7,14H,1-5H2,(H2,13,15)
InChIKeyFALYATDCXXJRDO-UHFFFAOYSA-N
XLogP0.56
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(cyclopropylamino)-4-(2,2,3,3-tetrafluoropropoxy)butanamide
CID 55143380
2-(cyclopropylamino)-4-(cyclopropylmethoxy)butanamide
CID 63040627
2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)butanamide
CID 63040815
4-(cyclohexylmethoxy)-2-(cyclopropylamino)butanamide
CID 63035322
2-(cyclopropylamino)-4-(4,4-dimethylcyclohexyl)oxybutanamide
CID 114342017
2-(cyclopropylamino)-4-[methyl(2,2,2-trifluoroethyl)amino]butanamide
CID 63055288
2-(cyclopropylamino)-4-(4-methylcyclohexyl)oxybutanamide
CID 63040789
2-(cyclopropylamino)-5-(methylamino)hexanediamide
CID 66221949
2-(cyclopropylamino)-4-(3,4-difluorophenoxy)butanamide
CID 63035661
2-(cyclopropylamino)-4-(2-ethylcyclohexyl)oxybutanamide
CID 55145305
tert-butyl N-[4-amino-3-(cyclopropylamino)-4-oxobutyl]carbamate
CID 102730728
2-(cyclopropylamino)-4-(3-fluorophenoxy)butanamide
CID 63039927

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-(2,2,2-trifluoroethoxy)butanamide?
The IUPAC name of 2-(cyclopropylamino)-4-(2,2,2-trifluoroethoxy)butanamide (CID 63040262) is 2-(cyclopropylamino)-4-(2,2,2-trifluoroethoxy)butanamide.
What is the SMILES notation for 2-(cyclopropylamino)-4-(2,2,2-trifluoroethoxy)butanamide?
The canonical SMILES for 2-(cyclopropylamino)-4-(2,2,2-trifluoroethoxy)butanamide is NC(=O)C(CCOCC(F)(F)F)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-4-(2,2,2-trifluoroethoxy)butanamide?
The InChIKey is FALYATDCXXJRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c10-9(11,12)5-16-4-3-7(8(13)15)14-6-1-2-6/h6-7,14H,1-5H2,(H2,13,15).
What are the key properties of 2-(cyclopropylamino)-4-(2,2,2-trifluoroethoxy)butanamide?
2-(cyclopropylamino)-4-(2,2,2-trifluoroethoxy)butanamide has a molecular weight of 240.22 g/mol, XLogP of 0.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-(2,2,2-trifluoroethoxy)butanamide is sourced from PubChem (CID 63040262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).