[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-piperidin-1-ylmethanone

C20H18F3NO2 — CID 59492714

IUPAC[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2)N1CCCCC1
InChIInChI=1S/C20H18F3NO2/c21-20(22,23)19(26)16-7-3-2-6-14(16)15-9-8-13(12-17(15)19)18(25)24-10-4-1-5-11-24/h2-3,6-9,12,26H,1,4-5,10-11H2
InChIKeyHPNZRSICFOYTOP-UHFFFAOYSA-N
MW361.36 g/mol
LogP4.09
Rot. Bonds1

About [9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-piperidin-1-ylmethanone

[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-piperidin-1-ylmethanone (PubChem CID 59492714) has the molecular formula C20H18F3NO2 and a molecular weight of 361.36 g/mol. Its IUPAC name is [9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-piperidin-1-ylmethanone
PubChem CID59492714
Molecular FormulaC20H18F3NO2
Molecular Weight361.36 g/mol
Exact Mass361.13
IUPAC Name[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2)N1CCCCC1
InChIInChI=1S/C20H18F3NO2/c21-20(22,23)19(26)16-7-3-2-6-14(16)15-9-8-13(12-17(15)19)18(25)24-10-4-1-5-11-24/h2-3,6-9,12,26H,1,4-5,10-11H2
InChIKeyHPNZRSICFOYTOP-UHFFFAOYSA-N
XLogP4.09
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-piperidin-1-ylmethanone (CID 59492714) is [9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-piperidin-1-ylmethanone is O=C(c1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2)N1CCCCC1.
What is the InChIKey of [9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-piperidin-1-ylmethanone?
The InChIKey is HPNZRSICFOYTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3NO2/c21-20(22,23)19(26)16-7-3-2-6-14(16)15-9-8-13(12-17(15)19)18(25)24-10-4-1-5-11-24/h2-3,6-9,12,26H,1,4-5,10-11H2.
What are the key properties of [9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-piperidin-1-ylmethanone?
[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-piperidin-1-ylmethanone has a molecular weight of 361.36 g/mol, XLogP of 4.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 59492714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).