2,2,2-trifluoro-N-[(1R)-3-(hydroxymethyl)-3-propan-2-ylcyclopentyl]-N-(oxan-4-yl)acetamide

C16H26F3NO3 — CID 142892511

IUPAC2,2,2-trifluoro-N-[(1R)-3-(hydroxymethyl)-3-propan-2-ylcyclopentyl]-N-(oxan-4-yl)acetamide
SMILESCC(C)C1(CO)CC[C@@H](N(C(=O)C(F)(F)F)C2CCOCC2)C1
InChIInChI=1S/C16H26F3NO3/c1-11(2)15(10-21)6-3-13(9-15)20(14(22)16(17,18)19)12-4-7-23-8-5-12/h11-13,21H,3-10H2,1-2H3/t13-,15?/m1/s1
InChIKeyGAOMEEZJLBXESR-AFYYWNPRSA-N
MW337.38 g/mol
LogP2.74
Rot. Bonds4

About 2,2,2-trifluoro-N-[(1R)-3-(hydroxymethyl)-3-propan-2-ylcyclopentyl]-N-(oxan-4-yl)acetamide

2,2,2-trifluoro-N-[(1R)-3-(hydroxymethyl)-3-propan-2-ylcyclopentyl]-N-(oxan-4-yl)acetamide (PubChem CID 142892511) has the molecular formula C16H26F3NO3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(1R)-3-(hydroxymethyl)-3-propan-2-ylcyclopentyl]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(1R)-3-(hydroxymethyl)-3-propan-2-ylcyclopentyl]-N-(oxan-4-yl)acetamide
PubChem CID142892511
Molecular FormulaC16H26F3NO3
Molecular Weight337.38 g/mol
Exact Mass337.19
IUPAC Name2,2,2-trifluoro-N-[(1R)-3-(hydroxymethyl)-3-propan-2-ylcyclopentyl]-N-(oxan-4-yl)acetamide
SMILESCC(C)C1(CO)CC[C@@H](N(C(=O)C(F)(F)F)C2CCOCC2)C1
InChIInChI=1S/C16H26F3NO3/c1-11(2)15(10-21)6-3-13(9-15)20(14(22)16(17,18)19)12-4-7-23-8-5-12/h11-13,21H,3-10H2,1-2H3/t13-,15?/m1/s1
InChIKeyGAOMEEZJLBXESR-AFYYWNPRSA-N
XLogP2.74
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2,2-trifluoro-N-[(1R)-3-(hydroxymethyl)-3-propan-2-ylcyclopentyl]-N-(oxan-4-yl)acetamide with MolForge

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Related Compounds

cis-(1S,3R)-3-[oxan-4-yl-(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxylic acid
CID 143085662
trans-(1S,3R)-3-[[(3S)-3-methyloxan-4-yl]-(2,2,2-trifluoroacetyl)amino]-1-propan-2-ylcyclopentane-1-carbonyl chloride
CID 58916529
N-[(3R)-1-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]-2,2,2-trifluoro-N-(oxan-4-yl)acetamide
CID 58651071
2,2,2-trifluoro-N-[(1R,3S)-3-[4-hydroxy-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-3-propan-2-ylcyclopentyl]-N-(oxan-4-yl)acetamide
CID 58629619
2,2,2-trifluoro-N-[(1R,3S)-3-[hydroxy-[6-(trifluoromethyl)-1,3,10-triazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-10-yl]methyl]-3-propan-2-ylcyclopentyl]-N-(oxan-4-yl)acetamide
CID 162599360
[(1R)-1-[(1S)-3-[oxan-4-yl-(2,2,2-trifluoroacetyl)amino]-1-[4-oxo-7-(trifluoromethyl)-1,3-dihydroisoquinoline-2-carbonyl]cyclopentyl]ethyl] acetate
CID 58629599
N-cyclopropyl-2-methyl-N-(oxan-4-yl)propanamide
CID 110873026
N-[(1'R,8S)-3-bromo-9-methyl-7-oxospiro[5,9,9a,10-tetrahydropyrrolo[1,2-g][1,6]naphthyridine-8,3'-cyclopentane]-1'-yl]-2,2,2-trifluoro-N-(oxan-4-yl)acetamide
CID 89043689
benzyl (3'R,12S)-13-methyl-3'-[oxan-4-yl-(2,2,2-trifluoroacetyl)amino]-2,11-dioxo-6-(trifluoromethyl)spiro[1,3,10-triazatricyclo[6.5.1.04,14]tetradeca-4,6,8(14)-triene-12,1'-cyclopentane]-3-carboxylate
CID 147544224
2-fluoro-N,2-dimethyl-N-(oxan-4-yl)propanamide
CID 130165390
(2S)-2-amino-N-cyclopropyl-N-(oxan-4-yl)propanamide
CID 129498740
methyl (1S)-3-[methyl(oxan-4-yl)amino]-1-propan-2-ylcyclopentane-1-carboxylate
CID 71088341

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(1R)-3-(hydroxymethyl)-3-propan-2-ylcyclopentyl]-N-(oxan-4-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(1R)-3-(hydroxymethyl)-3-propan-2-ylcyclopentyl]-N-(oxan-4-yl)acetamide (CID 142892511) is 2,2,2-trifluoro-N-[(1R)-3-(hydroxymethyl)-3-propan-2-ylcyclopentyl]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(1R)-3-(hydroxymethyl)-3-propan-2-ylcyclopentyl]-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(1R)-3-(hydroxymethyl)-3-propan-2-ylcyclopentyl]-N-(oxan-4-yl)acetamide is CC(C)C1(CO)CC[C@@H](N(C(=O)C(F)(F)F)C2CCOCC2)C1.
What is the InChIKey of 2,2,2-trifluoro-N-[(1R)-3-(hydroxymethyl)-3-propan-2-ylcyclopentyl]-N-(oxan-4-yl)acetamide?
The InChIKey is GAOMEEZJLBXESR-AFYYWNPRSA-N. The full InChI is InChI=1S/C16H26F3NO3/c1-11(2)15(10-21)6-3-13(9-15)20(14(22)16(17,18)19)12-4-7-23-8-5-12/h11-13,21H,3-10H2,1-2H3/t13-,15?/m1/s1.
What are the key properties of 2,2,2-trifluoro-N-[(1R)-3-(hydroxymethyl)-3-propan-2-ylcyclopentyl]-N-(oxan-4-yl)acetamide?
2,2,2-trifluoro-N-[(1R)-3-(hydroxymethyl)-3-propan-2-ylcyclopentyl]-N-(oxan-4-yl)acetamide has a molecular weight of 337.38 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(1R)-3-(hydroxymethyl)-3-propan-2-ylcyclopentyl]-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 142892511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).