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

C19H17F3O2 — CID 59492544

IUPAC2-(cyclobutylmethoxy)-9-(trifluoromethyl)fluoren-9-ol
SMILESOC1(C(F)(F)F)c2ccccc2-c2ccc(OCC3CCC3)cc21
InChIInChI=1S/C19H17F3O2/c20-19(21,22)18(23)16-7-2-1-6-14(16)15-9-8-13(10-17(15)18)24-11-12-4-3-5-12/h1-2,6-10,12,23H,3-5,11H2
InChIKeyOVKGBUUDMNEWJI-UHFFFAOYSA-N
MW334.34 g/mol
LogP4.64
Rot. Bonds3

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

2-(cyclobutylmethoxy)-9-(trifluoromethyl)fluoren-9-ol (PubChem CID 59492544) has the molecular formula C19H17F3O2 and a molecular weight of 334.34 g/mol. Its IUPAC name is 2-(cyclobutylmethoxy)-9-(trifluoromethyl)fluoren-9-ol.

Molecular Properties

Compound Name2-(cyclobutylmethoxy)-9-(trifluoromethyl)fluoren-9-ol
PubChem CID59492544
Molecular FormulaC19H17F3O2
Molecular Weight334.34 g/mol
Exact Mass334.12
IUPAC Name2-(cyclobutylmethoxy)-9-(trifluoromethyl)fluoren-9-ol
SMILESOC1(C(F)(F)F)c2ccccc2-c2ccc(OCC3CCC3)cc21
InChIInChI=1S/C19H17F3O2/c20-19(21,22)18(23)16-7-2-1-6-14(16)15-9-8-13(10-17(15)18)24-11-12-4-3-5-12/h1-2,6-10,12,23H,3-5,11H2
InChIKeyOVKGBUUDMNEWJI-UHFFFAOYSA-N
XLogP4.64
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylmethoxy)-9-(trifluoromethyl)fluoren-9-ol?
The IUPAC name of 2-(cyclobutylmethoxy)-9-(trifluoromethyl)fluoren-9-ol (CID 59492544) is 2-(cyclobutylmethoxy)-9-(trifluoromethyl)fluoren-9-ol.
What is the SMILES notation for 2-(cyclobutylmethoxy)-9-(trifluoromethyl)fluoren-9-ol?
The canonical SMILES for 2-(cyclobutylmethoxy)-9-(trifluoromethyl)fluoren-9-ol is OC1(C(F)(F)F)c2ccccc2-c2ccc(OCC3CCC3)cc21.
What is the InChIKey of 2-(cyclobutylmethoxy)-9-(trifluoromethyl)fluoren-9-ol?
The InChIKey is OVKGBUUDMNEWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3O2/c20-19(21,22)18(23)16-7-2-1-6-14(16)15-9-8-13(10-17(15)18)24-11-12-4-3-5-12/h1-2,6-10,12,23H,3-5,11H2.
What are the key properties of 2-(cyclobutylmethoxy)-9-(trifluoromethyl)fluoren-9-ol?
2-(cyclobutylmethoxy)-9-(trifluoromethyl)fluoren-9-ol has a molecular weight of 334.34 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethoxy)-9-(trifluoromethyl)fluoren-9-ol is sourced from PubChem (CID 59492544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).