(4,4-difluorocyclohexyl)-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone

C15H21F2N3O2 — CID 110105115

IUPAC(4,4-difluorocyclohexyl)-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
SMILESCc1cnc(C2CN(C(=O)C3CCC(F)(F)CC3)CCO2)[nH]1
InChIInChI=1S/C15H21F2N3O2/c1-10-8-18-13(19-10)12-9-20(6-7-22-12)14(21)11-2-4-15(16,17)5-3-11/h8,11-12H,2-7,9H2,1H3,(H,18,19)
InChIKeyKMPHMIQHPAPOKI-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.44
Rot. Bonds2

About (4,4-difluorocyclohexyl)-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone

(4,4-difluorocyclohexyl)-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone (PubChem CID 110105115) has the molecular formula C15H21F2N3O2 and a molecular weight of 313.35 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl)-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl)-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
PubChem CID110105115
Molecular FormulaC15H21F2N3O2
Molecular Weight313.35 g/mol
Exact Mass313.16
IUPAC Name(4,4-difluorocyclohexyl)-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
SMILESCc1cnc(C2CN(C(=O)C3CCC(F)(F)CC3)CCO2)[nH]1
InChIInChI=1S/C15H21F2N3O2/c1-10-8-18-13(19-10)12-9-20(6-7-22-12)14(21)11-2-4-15(16,17)5-3-11/h8,11-12H,2-7,9H2,1H3,(H,18,19)
InChIKeyKMPHMIQHPAPOKI-UHFFFAOYSA-N
XLogP2.44
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexyl)-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone?
The IUPAC name of (4,4-difluorocyclohexyl)-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone (CID 110105115) is (4,4-difluorocyclohexyl)-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (4,4-difluorocyclohexyl)-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone?
The canonical SMILES for (4,4-difluorocyclohexyl)-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone is Cc1cnc(C2CN(C(=O)C3CCC(F)(F)CC3)CCO2)[nH]1.
What is the InChIKey of (4,4-difluorocyclohexyl)-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone?
The InChIKey is KMPHMIQHPAPOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3O2/c1-10-8-18-13(19-10)12-9-20(6-7-22-12)14(21)11-2-4-15(16,17)5-3-11/h8,11-12H,2-7,9H2,1H3,(H,18,19).
What are the key properties of (4,4-difluorocyclohexyl)-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone?
(4,4-difluorocyclohexyl)-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone has a molecular weight of 313.35 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorocyclohexyl)-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 110105115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).