1-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]phenyl]propan-1-one

C23H17F3O2 — CID 149259882

IUPAC1-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(-c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)cc1
InChIInChI=1S/C23H17F3O2/c1-2-21(27)15-9-7-14(8-10-15)16-11-12-18-17-5-3-4-6-19(17)22(28,20(18)13-16)23(24,25)26/h3-13,28H,2H2,1H3
InChIKeyXPAKEVSPQGIFLC-UHFFFAOYSA-N
MW382.38 g/mol
LogP5.72
Rot. Bonds3

About 1-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]phenyl]propan-1-one

1-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]phenyl]propan-1-one (PubChem CID 149259882) has the molecular formula C23H17F3O2 and a molecular weight of 382.38 g/mol. Its IUPAC name is 1-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]phenyl]propan-1-one
PubChem CID149259882
Molecular FormulaC23H17F3O2
Molecular Weight382.38 g/mol
Exact Mass382.12
IUPAC Name1-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(-c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)cc1
InChIInChI=1S/C23H17F3O2/c1-2-21(27)15-9-7-14(8-10-15)16-11-12-18-17-5-3-4-6-19(17)22(28,20(18)13-16)23(24,25)26/h3-13,28H,2H2,1H3
InChIKeyXPAKEVSPQGIFLC-UHFFFAOYSA-N
XLogP5.72
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.38
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)-9-(trifluoromethyl)fluoren-9-ol
CID 59492604
3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzoic acid
CID 59493131
3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzamide
CID 59492649
2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N,N-dimethylbenzamide
CID 59492546
1-(9,9-diethylfluoren-2-yl)propan-1-one
CID 122485363
methyl 9-hydroxy-9-(trifluoromethyl)fluorene-3-carboxylate
CID 59492606
1-[1-[9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonyl]pyrrolidin-2-yl]propan-1-one
CID 149285076
azetidin-1-yl-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone
CID 59492809
9-[difluoro(phosphanyl)methyl]-N-ethyl-9-hydroxyfluorene-2-carboxamide
CID 143972600
1-[4-(2-bromophenyl)phenyl]propan-1-one
CID 115503571
9-(trifluoromethyl)-2-(1,3,5-trimethylpyrazol-4-yl)fluoren-9-ol
CID 59493120
1-[4-(9,9-dihexylfluoren-2-yl)phenyl]ethanone
CID 142722854

Frequently Asked Questions

What is the IUPAC name of 1-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]phenyl]propan-1-one?
The IUPAC name of 1-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]phenyl]propan-1-one (CID 149259882) is 1-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]phenyl]propan-1-one.
What is the SMILES notation for 1-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]phenyl]propan-1-one?
The canonical SMILES for 1-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]phenyl]propan-1-one is CCC(=O)c1ccc(-c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)cc1.
What is the InChIKey of 1-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]phenyl]propan-1-one?
The InChIKey is XPAKEVSPQGIFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3O2/c1-2-21(27)15-9-7-14(8-10-15)16-11-12-18-17-5-3-4-6-19(17)22(28,20(18)13-16)23(24,25)26/h3-13,28H,2H2,1H3.
What are the key properties of 1-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]phenyl]propan-1-one?
1-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]phenyl]propan-1-one has a molecular weight of 382.38 g/mol, XLogP of 5.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]phenyl]propan-1-one is sourced from PubChem (CID 149259882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).