2-[(1-propan-2-ylcyclopropyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide

C12H21F3N2O — CID 103742175

IUPAC2-[(1-propan-2-ylcyclopropyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NCC1(C(C)C)CC1)C(=O)NCC(F)(F)F
InChIInChI=1S/C12H21F3N2O/c1-8(2)11(4-5-11)6-16-9(3)10(18)17-7-12(13,14)15/h8-9,16H,4-7H2,1-3H3,(H,17,18)
InChIKeyMJSBGXXMALCDJM-UHFFFAOYSA-N
MW266.31 g/mol
LogP2.08
Rot. Bonds6

About 2-[(1-propan-2-ylcyclopropyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide

2-[(1-propan-2-ylcyclopropyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 103742175) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is 2-[(1-propan-2-ylcyclopropyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[(1-propan-2-ylcyclopropyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID103742175
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC Name2-[(1-propan-2-ylcyclopropyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NCC1(C(C)C)CC1)C(=O)NCC(F)(F)F
InChIInChI=1S/C12H21F3N2O/c1-8(2)11(4-5-11)6-16-9(3)10(18)17-7-12(13,14)15/h8-9,16H,4-7H2,1-3H3,(H,17,18)
InChIKeyMJSBGXXMALCDJM-UHFFFAOYSA-N
XLogP2.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-propan-2-ylcyclopropyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[(1-propan-2-ylcyclopropyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide (CID 103742175) is 2-[(1-propan-2-ylcyclopropyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[(1-propan-2-ylcyclopropyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[(1-propan-2-ylcyclopropyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide is CC(NCC1(C(C)C)CC1)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-[(1-propan-2-ylcyclopropyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is MJSBGXXMALCDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c1-8(2)11(4-5-11)6-16-9(3)10(18)17-7-12(13,14)15/h8-9,16H,4-7H2,1-3H3,(H,17,18).
What are the key properties of 2-[(1-propan-2-ylcyclopropyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
2-[(1-propan-2-ylcyclopropyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 266.31 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-propan-2-ylcyclopropyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 103742175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).