2-methoxy-2-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide

C12H22F3NO2 — CID 103028911

IUPAC2-methoxy-2-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCC(CC)N(CC(F)(F)F)C(=O)C(C)(C)OC
InChIInChI=1S/C12H22F3NO2/c1-6-9(7-2)16(8-12(13,14)15)10(17)11(3,4)18-5/h9H,6-8H2,1-5H3
InChIKeyRNZMWMACLNNYHQ-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.99
Rot. Bonds6

About 2-methoxy-2-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide

2-methoxy-2-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 103028911) has the molecular formula C12H22F3NO2 and a molecular weight of 269.31 g/mol. Its IUPAC name is 2-methoxy-2-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-methoxy-2-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID103028911
Molecular FormulaC12H22F3NO2
Molecular Weight269.31 g/mol
Exact Mass269.16
IUPAC Name2-methoxy-2-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCC(CC)N(CC(F)(F)F)C(=O)C(C)(C)OC
InChIInChI=1S/C12H22F3NO2/c1-6-9(7-2)16(8-12(13,14)15)10(17)11(3,4)18-5/h9H,6-8H2,1-5H3
InChIKeyRNZMWMACLNNYHQ-UHFFFAOYSA-N
XLogP2.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-methoxy-2-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide (CID 103028911) is 2-methoxy-2-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-methoxy-2-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-methoxy-2-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide is CCC(CC)N(CC(F)(F)F)C(=O)C(C)(C)OC.
What is the InChIKey of 2-methoxy-2-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is RNZMWMACLNNYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO2/c1-6-9(7-2)16(8-12(13,14)15)10(17)11(3,4)18-5/h9H,6-8H2,1-5H3.
What are the key properties of 2-methoxy-2-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide?
2-methoxy-2-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 269.31 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 103028911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).