2-(azetidine-1-carbonyl)-9-hydroxy-9-(trifluoromethyl)fluorene-4-carbonitrile

C19H13F3N2O2 — CID 59492773

IUPAC2-(azetidine-1-carbonyl)-9-hydroxy-9-(trifluoromethyl)fluorene-4-carbonitrile
SMILESN#Cc1cc(C(=O)N2CCC2)cc2c1-c1ccccc1C2(O)C(F)(F)F
InChIInChI=1S/C19H13F3N2O2/c20-19(21,22)18(26)14-5-2-1-4-13(14)16-12(10-23)8-11(9-15(16)18)17(25)24-6-3-7-24/h1-2,4-5,8-9,26H,3,6-7H2
InChIKeyJAIXZUGOFLQVDH-UHFFFAOYSA-N
MW358.32 g/mol
LogP3.18
Rot. Bonds1

About 2-(azetidine-1-carbonyl)-9-hydroxy-9-(trifluoromethyl)fluorene-4-carbonitrile

2-(azetidine-1-carbonyl)-9-hydroxy-9-(trifluoromethyl)fluorene-4-carbonitrile (PubChem CID 59492773) has the molecular formula C19H13F3N2O2 and a molecular weight of 358.32 g/mol. Its IUPAC name is 2-(azetidine-1-carbonyl)-9-hydroxy-9-(trifluoromethyl)fluorene-4-carbonitrile.

Molecular Properties

Compound Name2-(azetidine-1-carbonyl)-9-hydroxy-9-(trifluoromethyl)fluorene-4-carbonitrile
PubChem CID59492773
Molecular FormulaC19H13F3N2O2
Molecular Weight358.32 g/mol
Exact Mass358.09
IUPAC Name2-(azetidine-1-carbonyl)-9-hydroxy-9-(trifluoromethyl)fluorene-4-carbonitrile
SMILESN#Cc1cc(C(=O)N2CCC2)cc2c1-c1ccccc1C2(O)C(F)(F)F
InChIInChI=1S/C19H13F3N2O2/c20-19(21,22)18(26)14-5-2-1-4-13(14)16-12(10-23)8-11(9-15(16)18)17(25)24-6-3-7-24/h1-2,4-5,8-9,26H,3,6-7H2
InChIKeyJAIXZUGOFLQVDH-UHFFFAOYSA-N
XLogP3.18
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Azetidin-1-yl-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone
CID 59492809
4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N,N-dimethylbenzamide
CID 59492504
N,N-diethyl-1-[9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonyl]azetidine-3-carboxamide
CID 59492542
Azetidin-1-yl-[9-hydroxy-4-methyl-9-(trifluoromethyl)fluoren-2-yl]methanone
CID 59492575
[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]-(3-propoxyazetidin-1-yl)methanone
CID 59492586
(3-Ethoxyazetidin-1-yl)-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone
CID 59492603
1-[9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonyl]-N,N-dimethylazetidine-3-carboxamide
CID 59492625
2-(Azetidine-1-carbonyl)-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide
CID 59492652
N-[1-[9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonyl]pyrrolidin-3-yl]-N-methylacetamide
CID 59492670
(3-Hydroxyazetidin-1-yl)-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone
CID 59492735
Methyl 1-[9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonyl]azetidine-3-carboxylate
CID 59492779
1-[9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonyl]-N,N-dimethylpyrrolidine-3-carboxamide
CID 59492841

Frequently Asked Questions

What is the IUPAC name of 2-(azetidine-1-carbonyl)-9-hydroxy-9-(trifluoromethyl)fluorene-4-carbonitrile?
The IUPAC name of 2-(azetidine-1-carbonyl)-9-hydroxy-9-(trifluoromethyl)fluorene-4-carbonitrile (CID 59492773) is 2-(azetidine-1-carbonyl)-9-hydroxy-9-(trifluoromethyl)fluorene-4-carbonitrile.
What is the SMILES notation for 2-(azetidine-1-carbonyl)-9-hydroxy-9-(trifluoromethyl)fluorene-4-carbonitrile?
The canonical SMILES for 2-(azetidine-1-carbonyl)-9-hydroxy-9-(trifluoromethyl)fluorene-4-carbonitrile is N#Cc1cc(C(=O)N2CCC2)cc2c1-c1ccccc1C2(O)C(F)(F)F.
What is the InChIKey of 2-(azetidine-1-carbonyl)-9-hydroxy-9-(trifluoromethyl)fluorene-4-carbonitrile?
The InChIKey is JAIXZUGOFLQVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N2O2/c20-19(21,22)18(26)14-5-2-1-4-13(14)16-12(10-23)8-11(9-15(16)18)17(25)24-6-3-7-24/h1-2,4-5,8-9,26H,3,6-7H2.
What are the key properties of 2-(azetidine-1-carbonyl)-9-hydroxy-9-(trifluoromethyl)fluorene-4-carbonitrile?
2-(azetidine-1-carbonyl)-9-hydroxy-9-(trifluoromethyl)fluorene-4-carbonitrile has a molecular weight of 358.32 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidine-1-carbonyl)-9-hydroxy-9-(trifluoromethyl)fluorene-4-carbonitrile is sourced from PubChem (CID 59492773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).