[4-[2-fluoro-5-(2-methylbutan-2-yloxy)phenyl]phenyl]-morpholin-4-ylmethanone

C22H26FNO3 — CID 126752506

IUPAC[4-[2-fluoro-5-(2-methylbutan-2-yloxy)phenyl]phenyl]-morpholin-4-ylmethanone
SMILESCCC(C)(C)Oc1ccc(F)c(-c2ccc(C(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C22H26FNO3/c1-4-22(2,3)27-18-9-10-20(23)19(15-18)16-5-7-17(8-6-16)21(25)24-11-13-26-14-12-24/h5-10,15H,4,11-14H2,1-3H3
InChIKeyRLKSVNCCZCKSQF-UHFFFAOYSA-N
MW371.45 g/mol
LogP4.53
Rot. Bonds5

About [4-[2-fluoro-5-(2-methylbutan-2-yloxy)phenyl]phenyl]-morpholin-4-ylmethanone

[4-[2-fluoro-5-(2-methylbutan-2-yloxy)phenyl]phenyl]-morpholin-4-ylmethanone (PubChem CID 126752506) has the molecular formula C22H26FNO3 and a molecular weight of 371.45 g/mol. Its IUPAC name is [4-[2-fluoro-5-(2-methylbutan-2-yloxy)phenyl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[2-fluoro-5-(2-methylbutan-2-yloxy)phenyl]phenyl]-morpholin-4-ylmethanone
PubChem CID126752506
Molecular FormulaC22H26FNO3
Molecular Weight371.45 g/mol
Exact Mass371.19
IUPAC Name[4-[2-fluoro-5-(2-methylbutan-2-yloxy)phenyl]phenyl]-morpholin-4-ylmethanone
SMILESCCC(C)(C)Oc1ccc(F)c(-c2ccc(C(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C22H26FNO3/c1-4-22(2,3)27-18-9-10-20(23)19(15-18)16-5-7-17(8-6-16)21(25)24-11-13-26-14-12-24/h5-10,15H,4,11-14H2,1-3H3
InChIKeyRLKSVNCCZCKSQF-UHFFFAOYSA-N
XLogP4.53
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[2-fluoro-5-(2-methylbutan-2-yloxy)phenyl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[2-fluoro-5-(2-methylbutan-2-yloxy)phenyl]phenyl]-morpholin-4-ylmethanone (CID 126752506) is [4-[2-fluoro-5-(2-methylbutan-2-yloxy)phenyl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[2-fluoro-5-(2-methylbutan-2-yloxy)phenyl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[2-fluoro-5-(2-methylbutan-2-yloxy)phenyl]phenyl]-morpholin-4-ylmethanone is CCC(C)(C)Oc1ccc(F)c(-c2ccc(C(=O)N3CCOCC3)cc2)c1.
What is the InChIKey of [4-[2-fluoro-5-(2-methylbutan-2-yloxy)phenyl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is RLKSVNCCZCKSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FNO3/c1-4-22(2,3)27-18-9-10-20(23)19(15-18)16-5-7-17(8-6-16)21(25)24-11-13-26-14-12-24/h5-10,15H,4,11-14H2,1-3H3.
What are the key properties of [4-[2-fluoro-5-(2-methylbutan-2-yloxy)phenyl]phenyl]-morpholin-4-ylmethanone?
[4-[2-fluoro-5-(2-methylbutan-2-yloxy)phenyl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 371.45 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-fluoro-5-(2-methylbutan-2-yloxy)phenyl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 126752506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).