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

C18H17F3N2O — CID 59492534

IUPAC2-piperazin-1-yl-9-(trifluoromethyl)fluoren-9-ol
SMILESOC1(C(F)(F)F)c2ccccc2-c2ccc(N3CCNCC3)cc21
InChIInChI=1S/C18H17F3N2O/c19-18(20,21)17(24)15-4-2-1-3-13(15)14-6-5-12(11-16(14)17)23-9-7-22-8-10-23/h1-6,11,22,24H,7-10H2
InChIKeySIHYDQTXJDXQLS-UHFFFAOYSA-N
MW334.34 g/mol
LogP2.87
Rot. Bonds1

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

2-piperazin-1-yl-9-(trifluoromethyl)fluoren-9-ol (PubChem CID 59492534) has the molecular formula C18H17F3N2O and a molecular weight of 334.34 g/mol. Its IUPAC name is 2-piperazin-1-yl-9-(trifluoromethyl)fluoren-9-ol.

Molecular Properties

Compound Name2-piperazin-1-yl-9-(trifluoromethyl)fluoren-9-ol
PubChem CID59492534
Molecular FormulaC18H17F3N2O
Molecular Weight334.34 g/mol
Exact Mass334.13
IUPAC Name2-piperazin-1-yl-9-(trifluoromethyl)fluoren-9-ol
SMILESOC1(C(F)(F)F)c2ccccc2-c2ccc(N3CCNCC3)cc21
InChIInChI=1S/C18H17F3N2O/c19-18(20,21)17(24)15-4-2-1-3-13(15)14-6-5-12(11-16(14)17)23-9-7-22-8-10-23/h1-6,11,22,24H,7-10H2
InChIKeySIHYDQTXJDXQLS-UHFFFAOYSA-N
XLogP2.87
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-9-(trifluoromethyl)fluoren-9-ol?
The IUPAC name of 2-piperazin-1-yl-9-(trifluoromethyl)fluoren-9-ol (CID 59492534) is 2-piperazin-1-yl-9-(trifluoromethyl)fluoren-9-ol.
What is the SMILES notation for 2-piperazin-1-yl-9-(trifluoromethyl)fluoren-9-ol?
The canonical SMILES for 2-piperazin-1-yl-9-(trifluoromethyl)fluoren-9-ol is OC1(C(F)(F)F)c2ccccc2-c2ccc(N3CCNCC3)cc21.
What is the InChIKey of 2-piperazin-1-yl-9-(trifluoromethyl)fluoren-9-ol?
The InChIKey is SIHYDQTXJDXQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O/c19-18(20,21)17(24)15-4-2-1-3-13(15)14-6-5-12(11-16(14)17)23-9-7-22-8-10-23/h1-6,11,22,24H,7-10H2.
What are the key properties of 2-piperazin-1-yl-9-(trifluoromethyl)fluoren-9-ol?
2-piperazin-1-yl-9-(trifluoromethyl)fluoren-9-ol has a molecular weight of 334.34 g/mol, XLogP of 2.87, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-9-(trifluoromethyl)fluoren-9-ol is sourced from PubChem (CID 59492534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).