2,2,2-trifluoro-N-[(3R)-5-hydroxy-3,4-dihydro-2H-chromen-3-yl]acetamide

C11H10F3NO3 — CID 10682811

IUPAC2,2,2-trifluoro-N-[(3R)-5-hydroxy-3,4-dihydro-2H-chromen-3-yl]acetamide
SMILESO=C(N[C@H]1COc2cccc(O)c2C1)C(F)(F)F
InChIInChI=1S/C11H10F3NO3/c12-11(13,14)10(17)15-6-4-7-8(16)2-1-3-9(7)18-5-6/h1-3,6,16H,4-5H2,(H,15,17)/t6-/m1/s1
InChIKeyGVFVIYHYCQHPPA-ZCFIWIBFSA-N
MW261.20 g/mol
LogP1.37
Rot. Bonds1

About 2,2,2-trifluoro-N-[(3R)-5-hydroxy-3,4-dihydro-2H-chromen-3-yl]acetamide

2,2,2-trifluoro-N-[(3R)-5-hydroxy-3,4-dihydro-2H-chromen-3-yl]acetamide (PubChem CID 10682811) has the molecular formula C11H10F3NO3 and a molecular weight of 261.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(3R)-5-hydroxy-3,4-dihydro-2H-chromen-3-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(3R)-5-hydroxy-3,4-dihydro-2H-chromen-3-yl]acetamide
PubChem CID10682811
Molecular FormulaC11H10F3NO3
Molecular Weight261.20 g/mol
Exact Mass261.06
IUPAC Name2,2,2-trifluoro-N-[(3R)-5-hydroxy-3,4-dihydro-2H-chromen-3-yl]acetamide
SMILESO=C(N[C@H]1COc2cccc(O)c2C1)C(F)(F)F
InChIInChI=1S/C11H10F3NO3/c12-11(13,14)10(17)15-6-4-7-8(16)2-1-3-9(7)18-5-6/h1-3,6,16H,4-5H2,(H,15,17)/t6-/m1/s1
InChIKeyGVFVIYHYCQHPPA-ZCFIWIBFSA-N
XLogP1.37
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,2,2-trifluoro-N-[(3R)-5-hydroxy-3,4-dihydro-2H-chromen-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-ethyl-3,4-dihydro-2H-chromen-3-yl)-2,2,2-trifluoroacetamide
CID 76585450
3-(tert-butylamino)-3,4-dihydro-2H-chromen-5-ol
CID 105477797
3-(propan-2-ylamino)-3,4-dihydro-2H-chromen-5-ol
CID 85239018
2,2,2-trifluoro-N-[(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide
CID 11448303
2,2,2-trifluoro-N-[(3R)-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]acetamide
CID 146450882
3-amino-3,4-dihydro-2H-chromen-5-ol
CID 22366572
3-(heptan-3-ylamino)-3,4-dihydro-2H-chromen-5-ol
CID 70404616
[4-[[(3S)-5-[2-(ethylamino)ethoxy]-3,4-dihydro-2H-chromen-3-yl]carbamoyl]phenyl] trifluoromethanesulfonate
CID 25062931
N-[(3R)-3,4-dihydro-2H-chromen-3-yl]benzamide
CID 93499192
2,2,2-trifluoro-N-(1,2,3,4-tetrahydroquinolin-3-yl)acetamide
CID 130638230
[4-[[(3S)-5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]carbamoyl]phenyl] trifluoromethanesulfonate
CID 25054728
N-(3,4-dihydro-2H-chromen-3-yl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 154758238

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(3R)-5-hydroxy-3,4-dihydro-2H-chromen-3-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(3R)-5-hydroxy-3,4-dihydro-2H-chromen-3-yl]acetamide (CID 10682811) is 2,2,2-trifluoro-N-[(3R)-5-hydroxy-3,4-dihydro-2H-chromen-3-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(3R)-5-hydroxy-3,4-dihydro-2H-chromen-3-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(3R)-5-hydroxy-3,4-dihydro-2H-chromen-3-yl]acetamide is O=C(N[C@H]1COc2cccc(O)c2C1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(3R)-5-hydroxy-3,4-dihydro-2H-chromen-3-yl]acetamide?
The InChIKey is GVFVIYHYCQHPPA-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H10F3NO3/c12-11(13,14)10(17)15-6-4-7-8(16)2-1-3-9(7)18-5-6/h1-3,6,16H,4-5H2,(H,15,17)/t6-/m1/s1.
What are the key properties of 2,2,2-trifluoro-N-[(3R)-5-hydroxy-3,4-dihydro-2H-chromen-3-yl]acetamide?
2,2,2-trifluoro-N-[(3R)-5-hydroxy-3,4-dihydro-2H-chromen-3-yl]acetamide has a molecular weight of 261.20 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(3R)-5-hydroxy-3,4-dihydro-2H-chromen-3-yl]acetamide is sourced from PubChem (CID 10682811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).