(3-fluoroazetidin-1-yl)-[4-phenylmethoxy-3,5-di(propan-2-yl)phenyl]methanone

C23H28FNO2 — CID 122664145

IUPAC(3-fluoroazetidin-1-yl)-[4-phenylmethoxy-3,5-di(propan-2-yl)phenyl]methanone
SMILESCC(C)c1cc(C(=O)N2CC(F)C2)cc(C(C)C)c1OCc1ccccc1
InChIInChI=1S/C23H28FNO2/c1-15(2)20-10-18(23(26)25-12-19(24)13-25)11-21(16(3)4)22(20)27-14-17-8-6-5-7-9-17/h5-11,15-16,19H,12-14H2,1-4H3
InChIKeyNRQDUSSTMVCGSY-UHFFFAOYSA-N
MW369.48 g/mol
LogP5.31
Rot. Bonds6

About (3-fluoroazetidin-1-yl)-[4-phenylmethoxy-3,5-di(propan-2-yl)phenyl]methanone

(3-fluoroazetidin-1-yl)-[4-phenylmethoxy-3,5-di(propan-2-yl)phenyl]methanone (PubChem CID 122664145) has the molecular formula C23H28FNO2 and a molecular weight of 369.48 g/mol. Its IUPAC name is (3-fluoroazetidin-1-yl)-[4-phenylmethoxy-3,5-di(propan-2-yl)phenyl]methanone.

Molecular Properties

Compound Name(3-fluoroazetidin-1-yl)-[4-phenylmethoxy-3,5-di(propan-2-yl)phenyl]methanone
PubChem CID122664145
Molecular FormulaC23H28FNO2
Molecular Weight369.48 g/mol
Exact Mass369.21
IUPAC Name(3-fluoroazetidin-1-yl)-[4-phenylmethoxy-3,5-di(propan-2-yl)phenyl]methanone
SMILESCC(C)c1cc(C(=O)N2CC(F)C2)cc(C(C)C)c1OCc1ccccc1
InChIInChI=1S/C23H28FNO2/c1-15(2)20-10-18(23(26)25-12-19(24)13-25)11-21(16(3)4)22(20)27-14-17-8-6-5-7-9-17/h5-11,15-16,19H,12-14H2,1-4H3
InChIKeyNRQDUSSTMVCGSY-UHFFFAOYSA-N
XLogP5.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.48
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-fluoroazetidin-1-yl)-[4-phenylmethoxy-3,5-di(propan-2-yl)phenyl]methanone?
The IUPAC name of (3-fluoroazetidin-1-yl)-[4-phenylmethoxy-3,5-di(propan-2-yl)phenyl]methanone (CID 122664145) is (3-fluoroazetidin-1-yl)-[4-phenylmethoxy-3,5-di(propan-2-yl)phenyl]methanone.
What is the SMILES notation for (3-fluoroazetidin-1-yl)-[4-phenylmethoxy-3,5-di(propan-2-yl)phenyl]methanone?
The canonical SMILES for (3-fluoroazetidin-1-yl)-[4-phenylmethoxy-3,5-di(propan-2-yl)phenyl]methanone is CC(C)c1cc(C(=O)N2CC(F)C2)cc(C(C)C)c1OCc1ccccc1.
What is the InChIKey of (3-fluoroazetidin-1-yl)-[4-phenylmethoxy-3,5-di(propan-2-yl)phenyl]methanone?
The InChIKey is NRQDUSSTMVCGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FNO2/c1-15(2)20-10-18(23(26)25-12-19(24)13-25)11-21(16(3)4)22(20)27-14-17-8-6-5-7-9-17/h5-11,15-16,19H,12-14H2,1-4H3.
What are the key properties of (3-fluoroazetidin-1-yl)-[4-phenylmethoxy-3,5-di(propan-2-yl)phenyl]methanone?
(3-fluoroazetidin-1-yl)-[4-phenylmethoxy-3,5-di(propan-2-yl)phenyl]methanone has a molecular weight of 369.48 g/mol, XLogP of 5.31, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoroazetidin-1-yl)-[4-phenylmethoxy-3,5-di(propan-2-yl)phenyl]methanone is sourced from PubChem (CID 122664145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).