N-[[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methyl]acetamide

C17H14F3NO2 — CID 59493190

IUPACN-[[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C17H14F3NO2/c1-10(22)21-9-11-6-7-13-12-4-2-3-5-14(12)16(23,15(13)8-11)17(18,19)20/h2-8,23H,9H2,1H3,(H,21,22)
InChIKeyDLNKJASMPSFXSL-UHFFFAOYSA-N
MW321.30 g/mol
LogP3.10
Rot. Bonds2

About N-[[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methyl]acetamide

N-[[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methyl]acetamide (PubChem CID 59493190) has the molecular formula C17H14F3NO2 and a molecular weight of 321.30 g/mol. Its IUPAC name is N-[[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methyl]acetamide
PubChem CID59493190
Molecular FormulaC17H14F3NO2
Molecular Weight321.30 g/mol
Exact Mass321.10
IUPAC NameN-[[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C17H14F3NO2/c1-10(22)21-9-11-6-7-13-12-4-2-3-5-14(12)16(23,15(13)8-11)17(18,19)20/h2-8,23H,9H2,1H3,(H,21,22)
InChIKeyDLNKJASMPSFXSL-UHFFFAOYSA-N
XLogP3.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methyl]acetamide?
The IUPAC name of N-[[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methyl]acetamide (CID 59493190) is N-[[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methyl]acetamide?
The canonical SMILES for N-[[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methyl]acetamide is CC(=O)NCc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of N-[[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methyl]acetamide?
The InChIKey is DLNKJASMPSFXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NO2/c1-10(22)21-9-11-6-7-13-12-4-2-3-5-14(12)16(23,15(13)8-11)17(18,19)20/h2-8,23H,9H2,1H3,(H,21,22).
What are the key properties of N-[[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methyl]acetamide?
N-[[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methyl]acetamide has a molecular weight of 321.30 g/mol, XLogP of 3.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methyl]acetamide is sourced from PubChem (CID 59493190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).