N-(1-cyclopropylethyl)-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)acetamide

C12H20F3NO2 — CID 112687193

IUPACN-(1-cyclopropylethyl)-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)OCC(=O)N(CC(F)(F)F)C(C)C1CC1
InChIInChI=1S/C12H20F3NO2/c1-8(2)18-6-11(17)16(7-12(13,14)15)9(3)10-4-5-10/h8-10H,4-7H2,1-3H3
InChIKeyIQHWRHHCDWFBPB-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.60
Rot. Bonds6

About N-(1-cyclopropylethyl)-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)acetamide

N-(1-cyclopropylethyl)-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 112687193) has the molecular formula C12H20F3NO2 and a molecular weight of 267.29 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID112687193
Molecular FormulaC12H20F3NO2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC NameN-(1-cyclopropylethyl)-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)OCC(=O)N(CC(F)(F)F)C(C)C1CC1
InChIInChI=1S/C12H20F3NO2/c1-8(2)18-6-11(17)16(7-12(13,14)15)9(3)10-4-5-10/h8-10H,4-7H2,1-3H3
InChIKeyIQHWRHHCDWFBPB-UHFFFAOYSA-N
XLogP2.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-(1-cyclopropylethyl)-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)acetamide (CID 112687193) is N-(1-cyclopropylethyl)-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-(1-cyclopropylethyl)-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)acetamide is CC(C)OCC(=O)N(CC(F)(F)F)C(C)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is IQHWRHHCDWFBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO2/c1-8(2)18-6-11(17)16(7-12(13,14)15)9(3)10-4-5-10/h8-10H,4-7H2,1-3H3.
What are the key properties of N-(1-cyclopropylethyl)-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)acetamide?
N-(1-cyclopropylethyl)-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 267.29 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 112687193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).