(3,4-difluorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone

C18H17F2NO2 — CID 24724260

IUPAC(3,4-difluorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
SMILESO=C(c1ccc(CN2CCOCC2)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C18H17F2NO2/c19-16-6-5-15(11-17(16)20)18(22)14-3-1-13(2-4-14)12-21-7-9-23-10-8-21/h1-6,11H,7-10,12H2
InChIKeyLVIZQAHCKFHQCJ-UHFFFAOYSA-N
MW317.34 g/mol
LogP3.03
Rot. Bonds4

About (3,4-difluorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone

(3,4-difluorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone (PubChem CID 24724260) has the molecular formula C18H17F2NO2 and a molecular weight of 317.34 g/mol. Its IUPAC name is (3,4-difluorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
PubChem CID24724260
Molecular FormulaC18H17F2NO2
Molecular Weight317.34 g/mol
Exact Mass317.12
IUPAC Name(3,4-difluorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
SMILESO=C(c1ccc(CN2CCOCC2)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C18H17F2NO2/c19-16-6-5-15(11-17(16)20)18(22)14-3-1-13(2-4-14)12-21-7-9-23-10-8-21/h1-6,11H,7-10,12H2
InChIKeyLVIZQAHCKFHQCJ-UHFFFAOYSA-N
XLogP3.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724233
(2-fluorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724246
(2,5-dichlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724256
4-[4-(morpholin-4-ylmethyl)benzoyl]benzonitrile
CID 24724224
bis[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 152548032
(3-chloro-5-fluorophenyl)-[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724704
CID 59303659
CID 59303659
ethyl 4-[4-(morpholin-4-ylmethyl)benzoyl]benzoate
CID 24724227
(2,4-dimethylphenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724237
(3-fluoro-4-hydroxyphenyl)-[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methanone
CID 90671403
3,4-difluoro-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]benzamide
CID 108740915
(4-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24724346

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone?
The IUPAC name of (3,4-difluorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone (CID 24724260) is (3,4-difluorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone.
What is the SMILES notation for (3,4-difluorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone?
The canonical SMILES for (3,4-difluorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone is O=C(c1ccc(CN2CCOCC2)cc1)c1ccc(F)c(F)c1.
What is the InChIKey of (3,4-difluorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone?
The InChIKey is LVIZQAHCKFHQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NO2/c19-16-6-5-15(11-17(16)20)18(22)14-3-1-13(2-4-14)12-21-7-9-23-10-8-21/h1-6,11H,7-10,12H2.
What are the key properties of (3,4-difluorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone?
(3,4-difluorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone has a molecular weight of 317.34 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone is sourced from PubChem (CID 24724260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).