2,2,2-trifluoro-N-[2-[(1R)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]acetamide

C14H16F3NO2 — CID 11044386

IUPAC2,2,2-trifluoro-N-[2-[(1R)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]acetamide
SMILESCOc1ccc2c(c1)[C@@H](CCNC(=O)C(F)(F)F)CC2
InChIInChI=1S/C14H16F3NO2/c1-20-11-5-4-9-2-3-10(12(9)8-11)6-7-18-13(19)14(15,16)17/h4-5,8,10H,2-3,6-7H2,1H3,(H,18,19)/t10-/m1/s1
InChIKeyCNMSTYMECCGDFX-SNVBAGLBSA-N
MW287.28 g/mol
LogP2.79
Rot. Bonds4

About 2,2,2-trifluoro-N-[2-[(1R)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]acetamide

2,2,2-trifluoro-N-[2-[(1R)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]acetamide (PubChem CID 11044386) has the molecular formula C14H16F3NO2 and a molecular weight of 287.28 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-[(1R)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-[(1R)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]acetamide
PubChem CID11044386
Molecular FormulaC14H16F3NO2
Molecular Weight287.28 g/mol
Exact Mass287.11
IUPAC Name2,2,2-trifluoro-N-[2-[(1R)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]acetamide
SMILESCOc1ccc2c(c1)[C@@H](CCNC(=O)C(F)(F)F)CC2
InChIInChI=1S/C14H16F3NO2/c1-20-11-5-4-9-2-3-10(12(9)8-11)6-7-18-13(19)14(15,16)17/h4-5,8,10H,2-3,6-7H2,1H3,(H,18,19)/t10-/m1/s1
InChIKeyCNMSTYMECCGDFX-SNVBAGLBSA-N
XLogP2.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-[(1R)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-[(1R)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]acetamide (CID 11044386) is 2,2,2-trifluoro-N-[2-[(1R)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-[(1R)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-[(1R)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]acetamide is COc1ccc2c(c1)[C@@H](CCNC(=O)C(F)(F)F)CC2.
What is the InChIKey of 2,2,2-trifluoro-N-[2-[(1R)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]acetamide?
The InChIKey is CNMSTYMECCGDFX-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H16F3NO2/c1-20-11-5-4-9-2-3-10(12(9)8-11)6-7-18-13(19)14(15,16)17/h4-5,8,10H,2-3,6-7H2,1H3,(H,18,19)/t10-/m1/s1.
What are the key properties of 2,2,2-trifluoro-N-[2-[(1R)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]acetamide?
2,2,2-trifluoro-N-[2-[(1R)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]acetamide has a molecular weight of 287.28 g/mol, XLogP of 2.79, 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-[2-[(1R)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]acetamide is sourced from PubChem (CID 11044386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).