N-(1,1,1-trifluoro-3-methoxypropan-2-yl)propanamide

C7H12F3NO2 — CID 121359379

IUPACN-(1,1,1-trifluoro-3-methoxypropan-2-yl)propanamide
SMILESCCC(=O)NC(COC)C(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-3-6(12)11-5(4-13-2)7(8,9)10/h5H,3-4H2,1-2H3,(H,11,12)
InChIKeyJLVCUOVHVVVDIT-UHFFFAOYSA-N
MW199.17 g/mol
LogP1.09
Rot. Bonds4

About N-(1,1,1-trifluoro-3-methoxypropan-2-yl)propanamide

N-(1,1,1-trifluoro-3-methoxypropan-2-yl)propanamide (PubChem CID 121359379) has the molecular formula C7H12F3NO2 and a molecular weight of 199.17 g/mol. Its IUPAC name is N-(1,1,1-trifluoro-3-methoxypropan-2-yl)propanamide.

Molecular Properties

Compound NameN-(1,1,1-trifluoro-3-methoxypropan-2-yl)propanamide
PubChem CID121359379
Molecular FormulaC7H12F3NO2
Molecular Weight199.17 g/mol
Exact Mass199.08
IUPAC NameN-(1,1,1-trifluoro-3-methoxypropan-2-yl)propanamide
SMILESCCC(=O)NC(COC)C(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-3-6(12)11-5(4-13-2)7(8,9)10/h5H,3-4H2,1-2H3,(H,11,12)
InChIKeyJLVCUOVHVVVDIT-UHFFFAOYSA-N
XLogP1.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-methoxybutan-2-yl)propanamide
CID 64590697
4,4,4-trifluoro-3-(methoxymethyl)butanoic acid
CID 82405962
N-(1-methoxy-4-methylpentan-3-yl)propanamide
CID 163271813
N-(3-bromo-4-methoxybutyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 106245359
(1,1,1-trifluoro-3-methoxypropan-2-yl) acetate
CID 135252232
3,3-difluoro-1-methoxy-N-methylbutan-2-amine
CID 130979368
3-(ethylamino)-4,4,4-trifluoro-N-propan-2-ylbutanamide
CID 88589073
5-methoxy-2-(propanoylamino)pentanoic acid
CID 81076989
ethyl 4,4,4-trifluoro-3-hydrazinylbutanoate
CID 154016508
N-[(2S)-1,1,1-trifluoro-3-hydroxypropan-2-yl]acetamide
CID 121358026
N-(2-hydroxy-1-methoxyethyl)propanamide
CID 22735160
2,2,2-trifluoro-N-(1-methoxybut-3-yn-2-yl)acetamide
CID 130927350

Frequently Asked Questions

What is the IUPAC name of N-(1,1,1-trifluoro-3-methoxypropan-2-yl)propanamide?
The IUPAC name of N-(1,1,1-trifluoro-3-methoxypropan-2-yl)propanamide (CID 121359379) is N-(1,1,1-trifluoro-3-methoxypropan-2-yl)propanamide.
What is the SMILES notation for N-(1,1,1-trifluoro-3-methoxypropan-2-yl)propanamide?
The canonical SMILES for N-(1,1,1-trifluoro-3-methoxypropan-2-yl)propanamide is CCC(=O)NC(COC)C(F)(F)F.
What is the InChIKey of N-(1,1,1-trifluoro-3-methoxypropan-2-yl)propanamide?
The InChIKey is JLVCUOVHVVVDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO2/c1-3-6(12)11-5(4-13-2)7(8,9)10/h5H,3-4H2,1-2H3,(H,11,12).
What are the key properties of N-(1,1,1-trifluoro-3-methoxypropan-2-yl)propanamide?
N-(1,1,1-trifluoro-3-methoxypropan-2-yl)propanamide has a molecular weight of 199.17 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,1-trifluoro-3-methoxypropan-2-yl)propanamide is sourced from PubChem (CID 121359379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).