2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-1-pyrrolidin-1-ylethanone

C20H18F3NO3 — CID 59492720

IUPAC2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-1-pyrrolidin-1-ylethanone
SMILESO=C(COc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2)N1CCCC1
InChIInChI=1S/C20H18F3NO3/c21-20(22,23)19(26)16-6-2-1-5-14(16)15-8-7-13(11-17(15)19)27-12-18(25)24-9-3-4-10-24/h1-2,5-8,11,26H,3-4,9-10,12H2
InChIKeyYTKNPSFZMWVVQG-UHFFFAOYSA-N
MW377.36 g/mol
LogP3.47
Rot. Bonds3

About 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-1-pyrrolidin-1-ylethanone

2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-1-pyrrolidin-1-ylethanone (PubChem CID 59492720) has the molecular formula C20H18F3NO3 and a molecular weight of 377.36 g/mol. Its IUPAC name is 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-1-pyrrolidin-1-ylethanone
PubChem CID59492720
Molecular FormulaC20H18F3NO3
Molecular Weight377.36 g/mol
Exact Mass377.12
IUPAC Name2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-1-pyrrolidin-1-ylethanone
SMILESO=C(COc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2)N1CCCC1
InChIInChI=1S/C20H18F3NO3/c21-20(22,23)19(26)16-6-2-1-5-14(16)15-8-7-13(11-17(15)19)27-12-18(25)24-9-3-4-10-24/h1-2,5-8,11,26H,3-4,9-10,12H2
InChIKeyYTKNPSFZMWVVQG-UHFFFAOYSA-N
XLogP3.47
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-1-pyrrolidin-1-ylethanone (CID 59492720) is 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-1-pyrrolidin-1-ylethanone is O=C(COc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2)N1CCCC1.
What is the InChIKey of 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-1-pyrrolidin-1-ylethanone?
The InChIKey is YTKNPSFZMWVVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3NO3/c21-20(22,23)19(26)16-6-2-1-5-14(16)15-8-7-13(11-17(15)19)27-12-18(25)24-9-3-4-10-24/h1-2,5-8,11,26H,3-4,9-10,12H2.
What are the key properties of 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-1-pyrrolidin-1-ylethanone?
2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-1-pyrrolidin-1-ylethanone has a molecular weight of 377.36 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 59492720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).