azetidin-1-yl-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone

C18H14F3NO2 — CID 59492809

IUPACazetidin-1-yl-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone
SMILESO=C(c1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2)N1CCC1
InChIInChI=1S/C18H14F3NO2/c19-18(20,21)17(24)14-5-2-1-4-12(14)13-7-6-11(10-15(13)17)16(23)22-8-3-9-22/h1-2,4-7,10,24H,3,8-9H2
InChIKeyQBRJUUPUJYTHRF-UHFFFAOYSA-N
MW333.31 g/mol
LogP3.31
Rot. Bonds1

About azetidin-1-yl-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone

azetidin-1-yl-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone (PubChem CID 59492809) has the molecular formula C18H14F3NO2 and a molecular weight of 333.31 g/mol. Its IUPAC name is azetidin-1-yl-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone.

Molecular Properties

Compound Nameazetidin-1-yl-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone
PubChem CID59492809
Molecular FormulaC18H14F3NO2
Molecular Weight333.31 g/mol
Exact Mass333.10
IUPAC Nameazetidin-1-yl-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone
SMILESO=C(c1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2)N1CCC1
InChIInChI=1S/C18H14F3NO2/c19-18(20,21)17(24)14-5-2-1-4-12(14)13-7-6-11(10-15(13)17)16(23)22-8-3-9-22/h1-2,4-7,10,24H,3,8-9H2
InChIKeyQBRJUUPUJYTHRF-UHFFFAOYSA-N
XLogP3.31
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-hydroxypyrrolidin-1-yl)-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone
CID 59492747
[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-[3-(1-methoxyethenyl)azetidin-1-yl]methanone
CID 143972557
N-[1-[9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonyl]pyrrolidin-3-yl]-N-methylacetamide
CID 59492670
1-[1-[9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonyl]pyrrolidin-2-yl]propan-1-one
CID 149285076
1-[9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 59492597
[9-[difluoro(phosphanyl)methyl]-9-hydroxyfluoren-2-yl]-(2-methylpyrrolidin-1-yl)methanone
CID 143972525
3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzoic acid
CID 59493131
3-(azetidine-1-carbonyl)benzoic acid
CID 127019188
3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzamide
CID 59492649
2-(4-fluorophenyl)-9-(trifluoromethyl)fluoren-9-ol
CID 59492604
[4-(2,3-dihydro-1H-indene-5-carbonyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 38461269
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone?
The IUPAC name of azetidin-1-yl-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone (CID 59492809) is azetidin-1-yl-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone.
What is the SMILES notation for azetidin-1-yl-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone?
The canonical SMILES for azetidin-1-yl-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone is O=C(c1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2)N1CCC1.
What is the InChIKey of azetidin-1-yl-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone?
The InChIKey is QBRJUUPUJYTHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3NO2/c19-18(20,21)17(24)14-5-2-1-4-12(14)13-7-6-11(10-15(13)17)16(23)22-8-3-9-22/h1-2,4-7,10,24H,3,8-9H2.
What are the key properties of azetidin-1-yl-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone?
azetidin-1-yl-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone has a molecular weight of 333.31 g/mol, XLogP of 3.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone is sourced from PubChem (CID 59492809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).