[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-[3-(hydroxymethyl)azetidin-1-yl]methanone

C19H15ClF3NO3 — CID 59492641

IUPAC[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-[3-(hydroxymethyl)azetidin-1-yl]methanone
SMILESO=C(c1cc(Cl)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2)N1CC(CO)C1
InChIInChI=1S/C19H15ClF3NO3/c20-15-6-11(17(26)24-7-10(8-24)9-25)5-14-16(15)12-3-1-2-4-13(12)18(14,27)19(21,22)23/h1-6,10,25,27H,7-9H2
InChIKeyNPSCMZDUBMOHCJ-UHFFFAOYSA-N
MW397.78 g/mol
LogP3.18
Rot. Bonds2

About [4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-[3-(hydroxymethyl)azetidin-1-yl]methanone

[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-[3-(hydroxymethyl)azetidin-1-yl]methanone (PubChem CID 59492641) has the molecular formula C19H15ClF3NO3 and a molecular weight of 397.78 g/mol. Its IUPAC name is [4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-[3-(hydroxymethyl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-[3-(hydroxymethyl)azetidin-1-yl]methanone
PubChem CID59492641
Molecular FormulaC19H15ClF3NO3
Molecular Weight397.78 g/mol
Exact Mass397.07
IUPAC Name[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-[3-(hydroxymethyl)azetidin-1-yl]methanone
SMILESO=C(c1cc(Cl)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2)N1CC(CO)C1
InChIInChI=1S/C19H15ClF3NO3/c20-15-6-11(17(26)24-7-10(8-24)9-25)5-14-16(15)12-3-1-2-4-13(12)18(14,27)19(21,22)23/h1-6,10,25,27H,7-9H2
InChIKeyNPSCMZDUBMOHCJ-UHFFFAOYSA-N
XLogP3.18
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.78
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-[3-(hydroxymethyl)azetidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Azetidin-1-yl-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone
CID 59492809
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
(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
Azetidin-1-yl-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone
CID 59492847
[3-(Hydroxymethyl)azetidin-1-yl]-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone
CID 59492850
[4-Chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-(3-hydroxyazetidin-1-yl)methanone
CID 59492857

Frequently Asked Questions

What is the IUPAC name of [4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-[3-(hydroxymethyl)azetidin-1-yl]methanone?
The IUPAC name of [4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-[3-(hydroxymethyl)azetidin-1-yl]methanone (CID 59492641) is [4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-[3-(hydroxymethyl)azetidin-1-yl]methanone.
What is the SMILES notation for [4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-[3-(hydroxymethyl)azetidin-1-yl]methanone?
The canonical SMILES for [4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-[3-(hydroxymethyl)azetidin-1-yl]methanone is O=C(c1cc(Cl)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2)N1CC(CO)C1.
What is the InChIKey of [4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-[3-(hydroxymethyl)azetidin-1-yl]methanone?
The InChIKey is NPSCMZDUBMOHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF3NO3/c20-15-6-11(17(26)24-7-10(8-24)9-25)5-14-16(15)12-3-1-2-4-13(12)18(14,27)19(21,22)23/h1-6,10,25,27H,7-9H2.
What are the key properties of [4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-[3-(hydroxymethyl)azetidin-1-yl]methanone?
[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-[3-(hydroxymethyl)azetidin-1-yl]methanone has a molecular weight of 397.78 g/mol, XLogP of 3.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-[3-(hydroxymethyl)azetidin-1-yl]methanone is sourced from PubChem (CID 59492641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).