2,2,2-trifluoro-N-[(1R)-2,3,5,6-tetrahydro-1H-inden-1-yl]acetamide

C11H12F3NO — CID 134402787

IUPAC2,2,2-trifluoro-N-[(1R)-2,3,5,6-tetrahydro-1H-inden-1-yl]acetamide
SMILESO=C(N[C@@H]1CCC2=CCCC=C21)C(F)(F)F
InChIInChI=1S/C11H12F3NO/c12-11(13,14)10(16)15-9-6-5-7-3-1-2-4-8(7)9/h3-4,9H,1-2,5-6H2,(H,15,16)/t9-/m1/s1
InChIKeyWTUZPTBAVWQRGX-SECBINFHSA-N
MW231.22 g/mol
LogP2.47
Rot. Bonds1

About 2,2,2-trifluoro-N-[(1R)-2,3,5,6-tetrahydro-1H-inden-1-yl]acetamide

2,2,2-trifluoro-N-[(1R)-2,3,5,6-tetrahydro-1H-inden-1-yl]acetamide (PubChem CID 134402787) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(1R)-2,3,5,6-tetrahydro-1H-inden-1-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(1R)-2,3,5,6-tetrahydro-1H-inden-1-yl]acetamide
PubChem CID134402787
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name2,2,2-trifluoro-N-[(1R)-2,3,5,6-tetrahydro-1H-inden-1-yl]acetamide
SMILESO=C(N[C@@H]1CCC2=CCCC=C21)C(F)(F)F
InChIInChI=1S/C11H12F3NO/c12-11(13,14)10(16)15-9-6-5-7-3-1-2-4-8(7)9/h3-4,9H,1-2,5-6H2,(H,15,16)/t9-/m1/s1
InChIKeyWTUZPTBAVWQRGX-SECBINFHSA-N
XLogP2.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(1R)-2,3,5,6-tetrahydro-1H-inden-1-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(1R)-2,3,5,6-tetrahydro-1H-inden-1-yl]acetamide (CID 134402787) is 2,2,2-trifluoro-N-[(1R)-2,3,5,6-tetrahydro-1H-inden-1-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(1R)-2,3,5,6-tetrahydro-1H-inden-1-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(1R)-2,3,5,6-tetrahydro-1H-inden-1-yl]acetamide is O=C(N[C@@H]1CCC2=CCCC=C21)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(1R)-2,3,5,6-tetrahydro-1H-inden-1-yl]acetamide?
The InChIKey is WTUZPTBAVWQRGX-SECBINFHSA-N. The full InChI is InChI=1S/C11H12F3NO/c12-11(13,14)10(16)15-9-6-5-7-3-1-2-4-8(7)9/h3-4,9H,1-2,5-6H2,(H,15,16)/t9-/m1/s1.
What are the key properties of 2,2,2-trifluoro-N-[(1R)-2,3,5,6-tetrahydro-1H-inden-1-yl]acetamide?
2,2,2-trifluoro-N-[(1R)-2,3,5,6-tetrahydro-1H-inden-1-yl]acetamide has a molecular weight of 231.22 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(1R)-2,3,5,6-tetrahydro-1H-inden-1-yl]acetamide is sourced from PubChem (CID 134402787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).