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

C21H20F3NO4 — CID 59492877

IUPAC[3-(2-hydroxyethoxy)azetidin-1-yl]-[9-hydroxy-4-methyl-9-(trifluoromethyl)fluoren-2-yl]methanone
SMILESCc1cc(C(=O)N2CC(OCCO)C2)cc2c1-c1ccccc1C2(O)C(F)(F)F
InChIInChI=1S/C21H20F3NO4/c1-12-8-13(19(27)25-10-14(11-25)29-7-6-26)9-17-18(12)15-4-2-3-5-16(15)20(17,28)21(22,23)24/h2-5,8-9,14,26,28H,6-7,10-11H2,1H3
InChIKeyYEESNSRRBTYFAW-UHFFFAOYSA-N
MW407.39 g/mol
LogP2.61
Rot. Bonds4

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

[3-(2-hydroxyethoxy)azetidin-1-yl]-[9-hydroxy-4-methyl-9-(trifluoromethyl)fluoren-2-yl]methanone (PubChem CID 59492877) has the molecular formula C21H20F3NO4 and a molecular weight of 407.39 g/mol. Its IUPAC name is [3-(2-hydroxyethoxy)azetidin-1-yl]-[9-hydroxy-4-methyl-9-(trifluoromethyl)fluoren-2-yl]methanone.

Molecular Properties

Compound Name[3-(2-hydroxyethoxy)azetidin-1-yl]-[9-hydroxy-4-methyl-9-(trifluoromethyl)fluoren-2-yl]methanone
PubChem CID59492877
Molecular FormulaC21H20F3NO4
Molecular Weight407.39 g/mol
Exact Mass407.13
IUPAC Name[3-(2-hydroxyethoxy)azetidin-1-yl]-[9-hydroxy-4-methyl-9-(trifluoromethyl)fluoren-2-yl]methanone
SMILESCc1cc(C(=O)N2CC(OCCO)C2)cc2c1-c1ccccc1C2(O)C(F)(F)F
InChIInChI=1S/C21H20F3NO4/c1-12-8-13(19(27)25-10-14(11-25)29-7-6-26)9-17-18(12)15-4-2-3-5-16(15)20(17,28)21(22,23)24/h2-5,8-9,14,26,28H,6-7,10-11H2,1H3
InChIKeyYEESNSRRBTYFAW-UHFFFAOYSA-N
XLogP2.61
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.39
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(2-hydroxyethoxy)azetidin-1-yl]-[9-hydroxy-4-methyl-9-(trifluoromethyl)fluoren-2-yl]methanone?
The IUPAC name of [3-(2-hydroxyethoxy)azetidin-1-yl]-[9-hydroxy-4-methyl-9-(trifluoromethyl)fluoren-2-yl]methanone (CID 59492877) is [3-(2-hydroxyethoxy)azetidin-1-yl]-[9-hydroxy-4-methyl-9-(trifluoromethyl)fluoren-2-yl]methanone.
What is the SMILES notation for [3-(2-hydroxyethoxy)azetidin-1-yl]-[9-hydroxy-4-methyl-9-(trifluoromethyl)fluoren-2-yl]methanone?
The canonical SMILES for [3-(2-hydroxyethoxy)azetidin-1-yl]-[9-hydroxy-4-methyl-9-(trifluoromethyl)fluoren-2-yl]methanone is Cc1cc(C(=O)N2CC(OCCO)C2)cc2c1-c1ccccc1C2(O)C(F)(F)F.
What is the InChIKey of [3-(2-hydroxyethoxy)azetidin-1-yl]-[9-hydroxy-4-methyl-9-(trifluoromethyl)fluoren-2-yl]methanone?
The InChIKey is YEESNSRRBTYFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3NO4/c1-12-8-13(19(27)25-10-14(11-25)29-7-6-26)9-17-18(12)15-4-2-3-5-16(15)20(17,28)21(22,23)24/h2-5,8-9,14,26,28H,6-7,10-11H2,1H3.
What are the key properties of [3-(2-hydroxyethoxy)azetidin-1-yl]-[9-hydroxy-4-methyl-9-(trifluoromethyl)fluoren-2-yl]methanone?
[3-(2-hydroxyethoxy)azetidin-1-yl]-[9-hydroxy-4-methyl-9-(trifluoromethyl)fluoren-2-yl]methanone has a molecular weight of 407.39 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-hydroxyethoxy)azetidin-1-yl]-[9-hydroxy-4-methyl-9-(trifluoromethyl)fluoren-2-yl]methanone is sourced from PubChem (CID 59492877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).