cyclopropyl-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]methanone

C18H13F3O2 — CID 59492608

IUPACcyclopropyl-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]methanone
SMILESO=C(c1cccc2c1-c1ccccc1C2(O)C(F)(F)F)C1CC1
InChIInChI=1S/C18H13F3O2/c19-18(20,21)17(23)13-6-2-1-4-11(13)15-12(5-3-7-14(15)17)16(22)10-8-9-10/h1-7,10,23H,8-9H2
InChIKeyUJFHGVSQKVQJCU-UHFFFAOYSA-N
MW318.29 g/mol
LogP4.06
Rot. Bonds2

About cyclopropyl-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]methanone

cyclopropyl-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]methanone (PubChem CID 59492608) has the molecular formula C18H13F3O2 and a molecular weight of 318.29 g/mol. Its IUPAC name is cyclopropyl-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]methanone
PubChem CID59492608
Molecular FormulaC18H13F3O2
Molecular Weight318.29 g/mol
Exact Mass318.09
IUPAC Namecyclopropyl-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]methanone
SMILESO=C(c1cccc2c1-c1ccccc1C2(O)C(F)(F)F)C1CC1
InChIInChI=1S/C18H13F3O2/c19-18(20,21)17(23)13-6-2-1-4-11(13)15-12(5-3-7-14(15)17)16(22)10-8-9-10/h1-7,10,23H,8-9H2
InChIKeyUJFHGVSQKVQJCU-UHFFFAOYSA-N
XLogP4.06
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.29
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]methanone?
The IUPAC name of cyclopropyl-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]methanone (CID 59492608) is cyclopropyl-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]methanone.
What is the SMILES notation for cyclopropyl-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]methanone?
The canonical SMILES for cyclopropyl-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]methanone is O=C(c1cccc2c1-c1ccccc1C2(O)C(F)(F)F)C1CC1.
What is the InChIKey of cyclopropyl-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]methanone?
The InChIKey is UJFHGVSQKVQJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3O2/c19-18(20,21)17(23)13-6-2-1-4-11(13)15-12(5-3-7-14(15)17)16(22)10-8-9-10/h1-7,10,23H,8-9H2.
What are the key properties of cyclopropyl-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]methanone?
cyclopropyl-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]methanone has a molecular weight of 318.29 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 cyclopropyl-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]methanone is sourced from PubChem (CID 59492608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).