(2,3-difluoro-4-methylphenyl)-(4-propan-2-ylmorpholin-2-yl)methanone

C15H19F2NO2 — CID 107512705

IUPAC(2,3-difluoro-4-methylphenyl)-(4-propan-2-ylmorpholin-2-yl)methanone
SMILESCc1ccc(C(=O)C2CN(C(C)C)CCO2)c(F)c1F
InChIInChI=1S/C15H19F2NO2/c1-9(2)18-6-7-20-12(8-18)15(19)11-5-4-10(3)13(16)14(11)17/h4-5,9,12H,6-8H2,1-3H3
InChIKeyTYDMCAQPXVRUHQ-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.57
Rot. Bonds3

About (2,3-difluoro-4-methylphenyl)-(4-propan-2-ylmorpholin-2-yl)methanone

(2,3-difluoro-4-methylphenyl)-(4-propan-2-ylmorpholin-2-yl)methanone (PubChem CID 107512705) has the molecular formula C15H19F2NO2 and a molecular weight of 283.32 g/mol. Its IUPAC name is (2,3-difluoro-4-methylphenyl)-(4-propan-2-ylmorpholin-2-yl)methanone.

Molecular Properties

Compound Name(2,3-difluoro-4-methylphenyl)-(4-propan-2-ylmorpholin-2-yl)methanone
PubChem CID107512705
Molecular FormulaC15H19F2NO2
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name(2,3-difluoro-4-methylphenyl)-(4-propan-2-ylmorpholin-2-yl)methanone
SMILESCc1ccc(C(=O)C2CN(C(C)C)CCO2)c(F)c1F
InChIInChI=1S/C15H19F2NO2/c1-9(2)18-6-7-20-12(8-18)15(19)11-5-4-10(3)13(16)14(11)17/h4-5,9,12H,6-8H2,1-3H3
InChIKeyTYDMCAQPXVRUHQ-UHFFFAOYSA-N
XLogP2.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-fluorophenyl)-(4-propan-2-ylmorpholin-2-yl)methanone
CID 79658227
(2,3-difluoro-4-methylphenyl)-(4-propan-2-ylmorpholin-2-yl)methanol
CID 107512959
(7-fluoro-1-benzofuran-2-yl)-(4-propan-2-ylmorpholin-2-yl)methanone
CID 114725740
2-(3-fluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 79657371
2-(2-chloro-4-methylphenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 106867043
4-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzoic acid
CID 64533676
4-fluoro-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzoic acid
CID 107014520
(4-propan-2-ylmorpholin-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782581
2-(4-chlorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 79664016
3-phenyl-1-(4-propan-2-ylmorpholin-2-yl)propan-1-one
CID 79664689
(4-propan-2-ylmorpholin-2-yl)-quinolin-6-ylmethanone
CID 81198472
(2,6-difluoro-3-methylphenyl)-(4-propylmorpholin-2-yl)methanone
CID 82822768

Frequently Asked Questions

What is the IUPAC name of (2,3-difluoro-4-methylphenyl)-(4-propan-2-ylmorpholin-2-yl)methanone?
The IUPAC name of (2,3-difluoro-4-methylphenyl)-(4-propan-2-ylmorpholin-2-yl)methanone (CID 107512705) is (2,3-difluoro-4-methylphenyl)-(4-propan-2-ylmorpholin-2-yl)methanone.
What is the SMILES notation for (2,3-difluoro-4-methylphenyl)-(4-propan-2-ylmorpholin-2-yl)methanone?
The canonical SMILES for (2,3-difluoro-4-methylphenyl)-(4-propan-2-ylmorpholin-2-yl)methanone is Cc1ccc(C(=O)C2CN(C(C)C)CCO2)c(F)c1F.
What is the InChIKey of (2,3-difluoro-4-methylphenyl)-(4-propan-2-ylmorpholin-2-yl)methanone?
The InChIKey is TYDMCAQPXVRUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO2/c1-9(2)18-6-7-20-12(8-18)15(19)11-5-4-10(3)13(16)14(11)17/h4-5,9,12H,6-8H2,1-3H3.
What are the key properties of (2,3-difluoro-4-methylphenyl)-(4-propan-2-ylmorpholin-2-yl)methanone?
(2,3-difluoro-4-methylphenyl)-(4-propan-2-ylmorpholin-2-yl)methanone has a molecular weight of 283.32 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluoro-4-methylphenyl)-(4-propan-2-ylmorpholin-2-yl)methanone is sourced from PubChem (CID 107512705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).