2-pyrrolidin-1-yl-9-(trifluoromethyl)fluoren-9-ol

C18H16F3NO — CID 59492541

IUPAC2-pyrrolidin-1-yl-9-(trifluoromethyl)fluoren-9-ol
SMILESOC1(C(F)(F)F)c2ccccc2-c2ccc(N3CCCC3)cc21
InChIInChI=1S/C18H16F3NO/c19-18(20,21)17(23)15-6-2-1-5-13(15)14-8-7-12(11-16(14)17)22-9-3-4-10-22/h1-2,5-8,11,23H,3-4,9-10H2
InChIKeyAGIGYYOQOBXXBQ-UHFFFAOYSA-N
MW319.33 g/mol
LogP4.07
Rot. Bonds1

About 2-pyrrolidin-1-yl-9-(trifluoromethyl)fluoren-9-ol

2-pyrrolidin-1-yl-9-(trifluoromethyl)fluoren-9-ol (PubChem CID 59492541) has the molecular formula C18H16F3NO and a molecular weight of 319.33 g/mol. Its IUPAC name is 2-pyrrolidin-1-yl-9-(trifluoromethyl)fluoren-9-ol.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-9-(trifluoromethyl)fluoren-9-ol
PubChem CID59492541
Molecular FormulaC18H16F3NO
Molecular Weight319.33 g/mol
Exact Mass319.12
IUPAC Name2-pyrrolidin-1-yl-9-(trifluoromethyl)fluoren-9-ol
SMILESOC1(C(F)(F)F)c2ccccc2-c2ccc(N3CCCC3)cc21
InChIInChI=1S/C18H16F3NO/c19-18(20,21)17(23)15-6-2-1-5-13(15)14-8-7-12(11-16(14)17)22-9-3-4-10-22/h1-2,5-8,11,23H,3-4,9-10H2
InChIKeyAGIGYYOQOBXXBQ-UHFFFAOYSA-N
XLogP4.07
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-yl-9-(trifluoromethyl)fluoren-9-ol?
The IUPAC name of 2-pyrrolidin-1-yl-9-(trifluoromethyl)fluoren-9-ol (CID 59492541) is 2-pyrrolidin-1-yl-9-(trifluoromethyl)fluoren-9-ol.
What is the SMILES notation for 2-pyrrolidin-1-yl-9-(trifluoromethyl)fluoren-9-ol?
The canonical SMILES for 2-pyrrolidin-1-yl-9-(trifluoromethyl)fluoren-9-ol is OC1(C(F)(F)F)c2ccccc2-c2ccc(N3CCCC3)cc21.
What is the InChIKey of 2-pyrrolidin-1-yl-9-(trifluoromethyl)fluoren-9-ol?
The InChIKey is AGIGYYOQOBXXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO/c19-18(20,21)17(23)15-6-2-1-5-13(15)14-8-7-12(11-16(14)17)22-9-3-4-10-22/h1-2,5-8,11,23H,3-4,9-10H2.
What are the key properties of 2-pyrrolidin-1-yl-9-(trifluoromethyl)fluoren-9-ol?
2-pyrrolidin-1-yl-9-(trifluoromethyl)fluoren-9-ol has a molecular weight of 319.33 g/mol, XLogP of 4.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-yl-9-(trifluoromethyl)fluoren-9-ol is sourced from PubChem (CID 59492541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).