(2-benzylmorpholin-4-yl)-(2,3,5,6-tetrafluorophenyl)methanone

C18H15F4NO2 — CID 88543561

IUPAC(2-benzylmorpholin-4-yl)-(2,3,5,6-tetrafluorophenyl)methanone
SMILESO=C(c1c(F)c(F)cc(F)c1F)N1CCOC(Cc2ccccc2)C1
InChIInChI=1S/C18H15F4NO2/c19-13-9-14(20)17(22)15(16(13)21)18(24)23-6-7-25-12(10-23)8-11-4-2-1-3-5-11/h1-5,9,12H,6-8,10H2
InChIKeySMIRFTIKRFZTGB-UHFFFAOYSA-N
MW353.32 g/mol
LogP3.33
Rot. Bonds3

About (2-benzylmorpholin-4-yl)-(2,3,5,6-tetrafluorophenyl)methanone

(2-benzylmorpholin-4-yl)-(2,3,5,6-tetrafluorophenyl)methanone (PubChem CID 88543561) has the molecular formula C18H15F4NO2 and a molecular weight of 353.32 g/mol. Its IUPAC name is (2-benzylmorpholin-4-yl)-(2,3,5,6-tetrafluorophenyl)methanone.

Molecular Properties

Compound Name(2-benzylmorpholin-4-yl)-(2,3,5,6-tetrafluorophenyl)methanone
PubChem CID88543561
Molecular FormulaC18H15F4NO2
Molecular Weight353.32 g/mol
Exact Mass353.10
IUPAC Name(2-benzylmorpholin-4-yl)-(2,3,5,6-tetrafluorophenyl)methanone
SMILESO=C(c1c(F)c(F)cc(F)c1F)N1CCOC(Cc2ccccc2)C1
InChIInChI=1S/C18H15F4NO2/c19-13-9-14(20)17(22)15(16(13)21)18(24)23-6-7-25-12(10-23)8-11-4-2-1-3-5-11/h1-5,9,12H,6-8,10H2
InChIKeySMIRFTIKRFZTGB-UHFFFAOYSA-N
XLogP3.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.32
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-(2,3-Difluoro-4-methylbenzoyl)morpholine
CID 2210872
N-(2-Fluorobenzoyl)morpholine
CID 531931
N-(4-Fluorobenzoyl)morpholine
CID 531951
N-allyl-6-(1-(4-fluorobenzoyl)piperidin-4-yloxy)-N-methylhexan-1-aminium
CID 44306062
3-Fluorobenzoic acid, morpholide
CID 532004
4-(2,6-Difluorobenzoyl)morpholine
CID 532216
[4-(Morpholine-4-carbonyl)phenyl]-phenylmethanone
CID 2230131
(4-((3-Fluorophenyl)ethynyl)phenyl)(morpholino)methanone
CID 57575221
9-(2,5-Difluorobenzoyl)-4-methoxy-1-oxa-9-azaspiro[5.5]undecane
CID 91917965
[4-(2,6-Dimethylmorpholine-4-carbonyl)phenyl]-phenylmethanone
CID 2999020
{4-[(1-Benzyl-4-piperidyl)oxy]piperidino}(2,6-difluorophenyl)methanone
CID 91916473
(4-Fluorophenyl)-(3-phenyl-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl)methanone
CID 156602669

Frequently Asked Questions

What is the IUPAC name of (2-benzylmorpholin-4-yl)-(2,3,5,6-tetrafluorophenyl)methanone?
The IUPAC name of (2-benzylmorpholin-4-yl)-(2,3,5,6-tetrafluorophenyl)methanone (CID 88543561) is (2-benzylmorpholin-4-yl)-(2,3,5,6-tetrafluorophenyl)methanone.
What is the SMILES notation for (2-benzylmorpholin-4-yl)-(2,3,5,6-tetrafluorophenyl)methanone?
The canonical SMILES for (2-benzylmorpholin-4-yl)-(2,3,5,6-tetrafluorophenyl)methanone is O=C(c1c(F)c(F)cc(F)c1F)N1CCOC(Cc2ccccc2)C1.
What is the InChIKey of (2-benzylmorpholin-4-yl)-(2,3,5,6-tetrafluorophenyl)methanone?
The InChIKey is SMIRFTIKRFZTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F4NO2/c19-13-9-14(20)17(22)15(16(13)21)18(24)23-6-7-25-12(10-23)8-11-4-2-1-3-5-11/h1-5,9,12H,6-8,10H2.
What are the key properties of (2-benzylmorpholin-4-yl)-(2,3,5,6-tetrafluorophenyl)methanone?
(2-benzylmorpholin-4-yl)-(2,3,5,6-tetrafluorophenyl)methanone has a molecular weight of 353.32 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzylmorpholin-4-yl)-(2,3,5,6-tetrafluorophenyl)methanone is sourced from PubChem (CID 88543561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).