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

C11H20F3NO — CID 64592028

IUPAC2-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCC(CC)N(CC(F)(F)F)C(=O)C(C)C
InChIInChI=1S/C11H20F3NO/c1-5-9(6-2)15(7-11(12,13)14)10(16)8(3)4/h8-9H,5-7H2,1-4H3
InChIKeyWGWHPBBMHBDLKQ-UHFFFAOYSA-N
MW239.28 g/mol
LogP3.22
Rot. Bonds5

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

2-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 64592028) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID64592028
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name2-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCC(CC)N(CC(F)(F)F)C(=O)C(C)C
InChIInChI=1S/C11H20F3NO/c1-5-9(6-2)15(7-11(12,13)14)10(16)8(3)4/h8-9H,5-7H2,1-4H3
InChIKeyWGWHPBBMHBDLKQ-UHFFFAOYSA-N
XLogP3.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 60770828
N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 64592998
(2R)-2-amino-4-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pentanamide
CID 93372320
3-(ethylamino)-2-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 55122690
3-methyl-5-oxo-5-[pentan-3-yl(2,2,2-trifluoroethyl)amino]pentanoic acid
CID 62965772
2-(azetidin-3-yl)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 116676497
2-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)hexanamide
CID 54872172
ethyl N-pentan-3-yl-N-(2,2,2-trifluoroethyl)carbamate
CID 64591828
2,2,2-trifluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 64592645
2-amino-4-methoxy-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanamide
CID 62474315
N-(1-cyclopropylethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 60717510
(E)-4-oxo-4-[pentan-3-yl(2,2,2-trifluoroethyl)amino]but-2-enoic acid
CID 54875345

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide (CID 64592028) is 2-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 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.
What is the InChIKey of 2-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is WGWHPBBMHBDLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-5-9(6-2)15(7-11(12,13)14)10(16)8(3)4/h8-9H,5-7H2,1-4H3.
What are the key properties of 2-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide?
2-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 239.28 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 64592028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).