N-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropyl]-N-methylacetamide

C20H20F3NO3 — CID 59492554

IUPACN-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropyl]-N-methylacetamide
SMILESCC(=O)N(C)CC(C)Oc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C20H20F3NO3/c1-12(11-24(3)13(2)25)27-14-8-9-16-15-6-4-5-7-17(15)19(26,18(16)10-14)20(21,22)23/h4-10,12,26H,11H2,1-3H3
InChIKeyHOWPPMISILJNNG-UHFFFAOYSA-N
MW379.38 g/mol
LogP3.71
Rot. Bonds4

About N-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropyl]-N-methylacetamide

N-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropyl]-N-methylacetamide (PubChem CID 59492554) has the molecular formula C20H20F3NO3 and a molecular weight of 379.38 g/mol. Its IUPAC name is N-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropyl]-N-methylacetamide
PubChem CID59492554
Molecular FormulaC20H20F3NO3
Molecular Weight379.38 g/mol
Exact Mass379.14
IUPAC NameN-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropyl]-N-methylacetamide
SMILESCC(=O)N(C)CC(C)Oc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C20H20F3NO3/c1-12(11-24(3)13(2)25)27-14-8-9-16-15-6-4-5-7-17(15)19(26,18(16)10-14)20(21,22)23/h4-10,12,26H,11H2,1-3H3
InChIKeyHOWPPMISILJNNG-UHFFFAOYSA-N
XLogP3.71
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropyl]-N-methylacetamide?
The IUPAC name of N-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropyl]-N-methylacetamide (CID 59492554) is N-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropyl]-N-methylacetamide.
What is the SMILES notation for N-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropyl]-N-methylacetamide?
The canonical SMILES for N-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropyl]-N-methylacetamide is CC(=O)N(C)CC(C)Oc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of N-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropyl]-N-methylacetamide?
The InChIKey is HOWPPMISILJNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3NO3/c1-12(11-24(3)13(2)25)27-14-8-9-16-15-6-4-5-7-17(15)19(26,18(16)10-14)20(21,22)23/h4-10,12,26H,11H2,1-3H3.
What are the key properties of N-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropyl]-N-methylacetamide?
N-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropyl]-N-methylacetamide has a molecular weight of 379.38 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropyl]-N-methylacetamide is sourced from PubChem (CID 59492554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).