2,2,2-trifluoro-N-[(2R)-1-phenoxypropan-2-yl]acetamide

C11H12F3NO2 — CID 86592663

IUPAC2,2,2-trifluoro-N-[(2R)-1-phenoxypropan-2-yl]acetamide
SMILESC[C@H](COc1ccccc1)NC(=O)C(F)(F)F
InChIInChI=1S/C11H12F3NO2/c1-8(15-10(16)11(12,13)14)7-17-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,15,16)/t8-/m1/s1
InChIKeyKJFTXLUWPLYNIG-MRVPVSSYSA-N
MW247.22 g/mol
LogP2.13
Rot. Bonds4

About 2,2,2-trifluoro-N-[(2R)-1-phenoxypropan-2-yl]acetamide

2,2,2-trifluoro-N-[(2R)-1-phenoxypropan-2-yl]acetamide (PubChem CID 86592663) has the molecular formula C11H12F3NO2 and a molecular weight of 247.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(2R)-1-phenoxypropan-2-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(2R)-1-phenoxypropan-2-yl]acetamide
PubChem CID86592663
Molecular FormulaC11H12F3NO2
Molecular Weight247.22 g/mol
Exact Mass247.08
IUPAC Name2,2,2-trifluoro-N-[(2R)-1-phenoxypropan-2-yl]acetamide
SMILESC[C@H](COc1ccccc1)NC(=O)C(F)(F)F
InChIInChI=1S/C11H12F3NO2/c1-8(15-10(16)11(12,13)14)7-17-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,15,16)/t8-/m1/s1
InChIKeyKJFTXLUWPLYNIG-MRVPVSSYSA-N
XLogP2.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]propanamide
CID 94625062
tert-butyl N-[(2R)-1-phenoxypropan-2-yl]carbamate
CID 10586857
2-fluoro-N-(1-phenoxypropan-2-yl)benzamide
CID 117061953
2,2,2-trifluoro-N-(4-phenylbutan-2-yl)acetamide
CID 4564814
2,2-dimethyl-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]propanamide
CID 52773928
N-[(2R)-1-anilinopropan-2-yl]-2,2,2-trifluoroacetamide
CID 57280852
2,2,2-trifluoro-N-[1-(4-hydroxy-2,6-dimethylphenoxy)propan-2-yl]acetamide
CID 586542
2-(diethylamino)-N-(1-phenoxypropan-2-yl)acetamide;hydrochloride
CID 86131019
2-amino-3,3,3-trifluoro-2-methyl-N-[1-(4-methylphenoxy)propan-2-yl]propanamide
CID 79793690
N'-(1-phenoxypropan-2-yl)ethanedithioamide
CID 54378376
1-(3-methoxyphenyl)-3-(1-phenoxypropan-2-yl)urea
CID 133204314
1-(1-phenoxypropan-2-yl)-3-[3-(trifluoromethyl)phenyl]thiourea
CID 133217068

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(2R)-1-phenoxypropan-2-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(2R)-1-phenoxypropan-2-yl]acetamide (CID 86592663) is 2,2,2-trifluoro-N-[(2R)-1-phenoxypropan-2-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(2R)-1-phenoxypropan-2-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(2R)-1-phenoxypropan-2-yl]acetamide is C[C@H](COc1ccccc1)NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(2R)-1-phenoxypropan-2-yl]acetamide?
The InChIKey is KJFTXLUWPLYNIG-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H12F3NO2/c1-8(15-10(16)11(12,13)14)7-17-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,15,16)/t8-/m1/s1.
What are the key properties of 2,2,2-trifluoro-N-[(2R)-1-phenoxypropan-2-yl]acetamide?
2,2,2-trifluoro-N-[(2R)-1-phenoxypropan-2-yl]acetamide has a molecular weight of 247.22 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(2R)-1-phenoxypropan-2-yl]acetamide is sourced from PubChem (CID 86592663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).