2-(5-hydroxypentoxy)-4-pyrimidin-5-yl-9-(trifluoromethyl)fluoren-9-ol

C23H21F3N2O3 — CID 59492471

IUPAC2-(5-hydroxypentoxy)-4-pyrimidin-5-yl-9-(trifluoromethyl)fluoren-9-ol
SMILESOCCCCCOc1cc(-c2cncnc2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C23H21F3N2O3/c24-23(25,26)22(30)19-7-3-2-6-17(19)21-18(15-12-27-14-28-13-15)10-16(11-20(21)22)31-9-5-1-4-8-29/h2-3,6-7,10-14,29-30H,1,4-5,8-9H2
InChIKeyFCSCTQZEGQLCCB-UHFFFAOYSA-N
MW430.43 g/mol
LogP4.46
Rot. Bonds7

About 2-(5-hydroxypentoxy)-4-pyrimidin-5-yl-9-(trifluoromethyl)fluoren-9-ol

2-(5-hydroxypentoxy)-4-pyrimidin-5-yl-9-(trifluoromethyl)fluoren-9-ol (PubChem CID 59492471) has the molecular formula C23H21F3N2O3 and a molecular weight of 430.43 g/mol. Its IUPAC name is 2-(5-hydroxypentoxy)-4-pyrimidin-5-yl-9-(trifluoromethyl)fluoren-9-ol.

Molecular Properties

Compound Name2-(5-hydroxypentoxy)-4-pyrimidin-5-yl-9-(trifluoromethyl)fluoren-9-ol
PubChem CID59492471
Molecular FormulaC23H21F3N2O3
Molecular Weight430.43 g/mol
Exact Mass430.15
IUPAC Name2-(5-hydroxypentoxy)-4-pyrimidin-5-yl-9-(trifluoromethyl)fluoren-9-ol
SMILESOCCCCCOc1cc(-c2cncnc2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C23H21F3N2O3/c24-23(25,26)22(30)19-7-3-2-6-17(19)21-18(15-12-27-14-28-13-15)10-16(11-20(21)22)31-9-5-1-4-8-29/h2-3,6-7,10-14,29-30H,1,4-5,8-9H2
InChIKeyFCSCTQZEGQLCCB-UHFFFAOYSA-N
XLogP4.46
TPSA75.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.43
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxypentoxy)-4-pyrimidin-5-yl-9-(trifluoromethyl)fluoren-9-ol?
The IUPAC name of 2-(5-hydroxypentoxy)-4-pyrimidin-5-yl-9-(trifluoromethyl)fluoren-9-ol (CID 59492471) is 2-(5-hydroxypentoxy)-4-pyrimidin-5-yl-9-(trifluoromethyl)fluoren-9-ol.
What is the SMILES notation for 2-(5-hydroxypentoxy)-4-pyrimidin-5-yl-9-(trifluoromethyl)fluoren-9-ol?
The canonical SMILES for 2-(5-hydroxypentoxy)-4-pyrimidin-5-yl-9-(trifluoromethyl)fluoren-9-ol is OCCCCCOc1cc(-c2cncnc2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of 2-(5-hydroxypentoxy)-4-pyrimidin-5-yl-9-(trifluoromethyl)fluoren-9-ol?
The InChIKey is FCSCTQZEGQLCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N2O3/c24-23(25,26)22(30)19-7-3-2-6-17(19)21-18(15-12-27-14-28-13-15)10-16(11-20(21)22)31-9-5-1-4-8-29/h2-3,6-7,10-14,29-30H,1,4-5,8-9H2.
What are the key properties of 2-(5-hydroxypentoxy)-4-pyrimidin-5-yl-9-(trifluoromethyl)fluoren-9-ol?
2-(5-hydroxypentoxy)-4-pyrimidin-5-yl-9-(trifluoromethyl)fluoren-9-ol has a molecular weight of 430.43 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxypentoxy)-4-pyrimidin-5-yl-9-(trifluoromethyl)fluoren-9-ol is sourced from PubChem (CID 59492471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).