2-pentoxy-9-(trifluoromethyl)fluoren-9-ol

C19H19F3O2 — CID 59493222

IUPAC2-pentoxy-9-(trifluoromethyl)fluoren-9-ol
SMILESCCCCCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C19H19F3O2/c1-2-3-6-11-24-13-9-10-15-14-7-4-5-8-16(14)18(23,17(15)12-13)19(20,21)22/h4-5,7-10,12,23H,2-3,6,11H2,1H3
InChIKeyUZWQTECTAXVVSH-UHFFFAOYSA-N
MW336.35 g/mol
LogP5.03
Rot. Bonds5

About 2-pentoxy-9-(trifluoromethyl)fluoren-9-ol

2-pentoxy-9-(trifluoromethyl)fluoren-9-ol (PubChem CID 59493222) has the molecular formula C19H19F3O2 and a molecular weight of 336.35 g/mol. Its IUPAC name is 2-pentoxy-9-(trifluoromethyl)fluoren-9-ol.

Molecular Properties

Compound Name2-pentoxy-9-(trifluoromethyl)fluoren-9-ol
PubChem CID59493222
Molecular FormulaC19H19F3O2
Molecular Weight336.35 g/mol
Exact Mass336.13
IUPAC Name2-pentoxy-9-(trifluoromethyl)fluoren-9-ol
SMILESCCCCCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C19H19F3O2/c1-2-3-6-11-24-13-9-10-15-14-7-4-5-8-16(14)18(23,17(15)12-13)19(20,21)22/h4-5,7-10,12,23H,2-3,6,11H2,1H3
InChIKeyUZWQTECTAXVVSH-UHFFFAOYSA-N
XLogP5.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.35
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-pentoxy-9-(trifluoromethyl)fluoren-9-ol?
The IUPAC name of 2-pentoxy-9-(trifluoromethyl)fluoren-9-ol (CID 59493222) is 2-pentoxy-9-(trifluoromethyl)fluoren-9-ol.
What is the SMILES notation for 2-pentoxy-9-(trifluoromethyl)fluoren-9-ol?
The canonical SMILES for 2-pentoxy-9-(trifluoromethyl)fluoren-9-ol is CCCCCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of 2-pentoxy-9-(trifluoromethyl)fluoren-9-ol?
The InChIKey is UZWQTECTAXVVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3O2/c1-2-3-6-11-24-13-9-10-15-14-7-4-5-8-16(14)18(23,17(15)12-13)19(20,21)22/h4-5,7-10,12,23H,2-3,6,11H2,1H3.
What are the key properties of 2-pentoxy-9-(trifluoromethyl)fluoren-9-ol?
2-pentoxy-9-(trifluoromethyl)fluoren-9-ol has a molecular weight of 336.35 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentoxy-9-(trifluoromethyl)fluoren-9-ol is sourced from PubChem (CID 59493222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).