3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropanamide

C17H14F3NO3 — CID 59492998

IUPAC3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropanamide
SMILESNC(=O)CCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C17H14F3NO3/c18-17(19,20)16(23)13-4-2-1-3-11(13)12-6-5-10(9-14(12)16)24-8-7-15(21)22/h1-6,9,23H,7-8H2,(H2,21,22)
InChIKeyYQUVCCJVPAOCGM-UHFFFAOYSA-N
MW337.30 g/mol
LogP2.72
Rot. Bonds4

About 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropanamide

3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropanamide (PubChem CID 59492998) has the molecular formula C17H14F3NO3 and a molecular weight of 337.30 g/mol. Its IUPAC name is 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropanamide.

Molecular Properties

Compound Name3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropanamide
PubChem CID59492998
Molecular FormulaC17H14F3NO3
Molecular Weight337.30 g/mol
Exact Mass337.09
IUPAC Name3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropanamide
SMILESNC(=O)CCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C17H14F3NO3/c18-17(19,20)16(23)13-4-2-1-3-11(13)12-6-5-10(9-14(12)16)24-8-7-15(21)22/h1-6,9,23H,7-8H2,(H2,21,22)
InChIKeyYQUVCCJVPAOCGM-UHFFFAOYSA-N
XLogP2.72
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.30
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropanamide?
The IUPAC name of 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropanamide (CID 59492998) is 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropanamide.
What is the SMILES notation for 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropanamide?
The canonical SMILES for 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropanamide is NC(=O)CCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropanamide?
The InChIKey is YQUVCCJVPAOCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NO3/c18-17(19,20)16(23)13-4-2-1-3-11(13)12-6-5-10(9-14(12)16)24-8-7-15(21)22/h1-6,9,23H,7-8H2,(H2,21,22).
What are the key properties of 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropanamide?
3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropanamide has a molecular weight of 337.30 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropanamide is sourced from PubChem (CID 59492998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).