1-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]propan-1-one

C17H13F3O2 — CID 59492702

IUPAC1-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]propan-1-one
SMILESCCC(=O)c1cccc2c1-c1ccccc1C2(O)C(F)(F)F
InChIInChI=1S/C17H13F3O2/c1-2-14(21)11-7-5-9-13-15(11)10-6-3-4-8-12(10)16(13,22)17(18,19)20/h3-9,22H,2H2,1H3
InChIKeyIDXNRXFIOQVBAQ-UHFFFAOYSA-N
MW306.28 g/mol
LogP4.06
Rot. Bonds2

About 1-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]propan-1-one

1-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]propan-1-one (PubChem CID 59492702) has the molecular formula C17H13F3O2 and a molecular weight of 306.28 g/mol. Its IUPAC name is 1-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]propan-1-one.

Molecular Properties

Compound Name1-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]propan-1-one
PubChem CID59492702
Molecular FormulaC17H13F3O2
Molecular Weight306.28 g/mol
Exact Mass306.09
IUPAC Name1-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]propan-1-one
SMILESCCC(=O)c1cccc2c1-c1ccccc1C2(O)C(F)(F)F
InChIInChI=1S/C17H13F3O2/c1-2-14(21)11-7-5-9-13-15(11)10-6-3-4-8-12(10)16(13,22)17(18,19)20/h3-9,22H,2H2,1H3
InChIKeyIDXNRXFIOQVBAQ-UHFFFAOYSA-N
XLogP4.06
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]propan-1-one?
The IUPAC name of 1-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]propan-1-one (CID 59492702) is 1-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]propan-1-one.
What is the SMILES notation for 1-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]propan-1-one?
The canonical SMILES for 1-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]propan-1-one is CCC(=O)c1cccc2c1-c1ccccc1C2(O)C(F)(F)F.
What is the InChIKey of 1-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]propan-1-one?
The InChIKey is IDXNRXFIOQVBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3O2/c1-2-14(21)11-7-5-9-13-15(11)10-6-3-4-8-12(10)16(13,22)17(18,19)20/h3-9,22H,2H2,1H3.
What are the key properties of 1-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]propan-1-one?
1-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]propan-1-one has a molecular weight of 306.28 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]propan-1-one is sourced from PubChem (CID 59492702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).