2-propan-2-yl-9-(trifluoromethyl)fluoren-9-ol

C17H15F3O — CID 59492943

IUPAC2-propan-2-yl-9-(trifluoromethyl)fluoren-9-ol
SMILESCC(C)c1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C17H15F3O/c1-10(2)11-7-8-13-12-5-3-4-6-14(12)16(21,15(13)9-11)17(18,19)20/h3-10,21H,1-2H3
InChIKeyKQBRMTMGQNAJTQ-UHFFFAOYSA-N
MW292.30 g/mol
LogP4.59
Rot. Bonds1

About 2-propan-2-yl-9-(trifluoromethyl)fluoren-9-ol

2-propan-2-yl-9-(trifluoromethyl)fluoren-9-ol (PubChem CID 59492943) has the molecular formula C17H15F3O and a molecular weight of 292.30 g/mol. Its IUPAC name is 2-propan-2-yl-9-(trifluoromethyl)fluoren-9-ol.

Molecular Properties

Compound Name2-propan-2-yl-9-(trifluoromethyl)fluoren-9-ol
PubChem CID59492943
Molecular FormulaC17H15F3O
Molecular Weight292.30 g/mol
Exact Mass292.11
IUPAC Name2-propan-2-yl-9-(trifluoromethyl)fluoren-9-ol
SMILESCC(C)c1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C17H15F3O/c1-10(2)11-7-8-13-12-5-3-4-6-14(12)16(21,15(13)9-11)17(18,19)20/h3-10,21H,1-2H3
InChIKeyKQBRMTMGQNAJTQ-UHFFFAOYSA-N
XLogP4.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-9-(trifluoromethyl)fluoren-9-ol?
The IUPAC name of 2-propan-2-yl-9-(trifluoromethyl)fluoren-9-ol (CID 59492943) is 2-propan-2-yl-9-(trifluoromethyl)fluoren-9-ol.
What is the SMILES notation for 2-propan-2-yl-9-(trifluoromethyl)fluoren-9-ol?
The canonical SMILES for 2-propan-2-yl-9-(trifluoromethyl)fluoren-9-ol is CC(C)c1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of 2-propan-2-yl-9-(trifluoromethyl)fluoren-9-ol?
The InChIKey is KQBRMTMGQNAJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3O/c1-10(2)11-7-8-13-12-5-3-4-6-14(12)16(21,15(13)9-11)17(18,19)20/h3-10,21H,1-2H3.
What are the key properties of 2-propan-2-yl-9-(trifluoromethyl)fluoren-9-ol?
2-propan-2-yl-9-(trifluoromethyl)fluoren-9-ol has a molecular weight of 292.30 g/mol, XLogP of 4.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-9-(trifluoromethyl)fluoren-9-ol is sourced from PubChem (CID 59492943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).