[1-(difluoromethyl)cyclopropyl]-(2-methyl-2-phenylmorpholin-4-yl)methanone

C16H19F2NO2 — CID 126817191

IUPAC[1-(difluoromethyl)cyclopropyl]-(2-methyl-2-phenylmorpholin-4-yl)methanone
SMILESCC1(c2ccccc2)CN(C(=O)C2(C(F)F)CC2)CCO1
InChIInChI=1S/C16H19F2NO2/c1-15(12-5-3-2-4-6-12)11-19(9-10-21-15)14(20)16(7-8-16)13(17)18/h2-6,13H,7-11H2,1H3
InChIKeyZATANPYSYKFIQA-UHFFFAOYSA-N
MW295.33 g/mol
LogP2.81
Rot. Bonds3

About [1-(difluoromethyl)cyclopropyl]-(2-methyl-2-phenylmorpholin-4-yl)methanone

[1-(difluoromethyl)cyclopropyl]-(2-methyl-2-phenylmorpholin-4-yl)methanone (PubChem CID 126817191) has the molecular formula C16H19F2NO2 and a molecular weight of 295.33 g/mol. Its IUPAC name is [1-(difluoromethyl)cyclopropyl]-(2-methyl-2-phenylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[1-(difluoromethyl)cyclopropyl]-(2-methyl-2-phenylmorpholin-4-yl)methanone
PubChem CID126817191
Molecular FormulaC16H19F2NO2
Molecular Weight295.33 g/mol
Exact Mass295.14
IUPAC Name[1-(difluoromethyl)cyclopropyl]-(2-methyl-2-phenylmorpholin-4-yl)methanone
SMILESCC1(c2ccccc2)CN(C(=O)C2(C(F)F)CC2)CCO1
InChIInChI=1S/C16H19F2NO2/c1-15(12-5-3-2-4-6-12)11-19(9-10-21-15)14(20)16(7-8-16)13(17)18/h2-6,13H,7-11H2,1H3
InChIKeyZATANPYSYKFIQA-UHFFFAOYSA-N
XLogP2.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methyl-2-phenylmorpholin-4-yl)-(4-prop-2-enyloxan-4-yl)methanone
CID 126819255
3-[(2R)-2-methyl-2-phenylmorpholine-4-carbonyl]benzoic acid
CID 124688908
(2,2-dimethylmorpholin-4-yl)-(1-phenylcyclobutyl)methanone
CID 86983017
(2R)-2-methyl-4-(1-phenylcyclopropanecarbonyl)morpholine-2-carboxamide
CID 95839509
7-hydroxy-1-(2-methyl-2-phenylmorpholin-4-yl)octan-1-one
CID 126835034
2-[(2R)-2-methyl-2-phenylmorpholin-4-yl]acetic acid
CID 124692791
2-methyl-N-(4-methylsulfanylbutyl)-2-phenylmorpholine-4-carboxamide
CID 71970349
1-[4-(2-methyl-2-phenylmorpholin-4-yl)-4-oxobutan-2-yl]pyrrolidin-2-one
CID 127267540
(2-chloro-3-methylimidazol-4-yl)-(2-methyl-2-phenylmorpholin-4-yl)methanone
CID 126840002
N-(3-methoxypropyl)-N,2-dimethyl-2-phenylmorpholine-4-carboxamide
CID 91651334
3-[(2R)-2-methyl-2-phenylmorpholin-4-yl]propanoic acid
CID 124692793
4-[(2R)-2-methyl-2-phenylmorpholin-4-yl]butanoic acid
CID 124573817

Frequently Asked Questions

What is the IUPAC name of [1-(difluoromethyl)cyclopropyl]-(2-methyl-2-phenylmorpholin-4-yl)methanone?
The IUPAC name of [1-(difluoromethyl)cyclopropyl]-(2-methyl-2-phenylmorpholin-4-yl)methanone (CID 126817191) is [1-(difluoromethyl)cyclopropyl]-(2-methyl-2-phenylmorpholin-4-yl)methanone.
What is the SMILES notation for [1-(difluoromethyl)cyclopropyl]-(2-methyl-2-phenylmorpholin-4-yl)methanone?
The canonical SMILES for [1-(difluoromethyl)cyclopropyl]-(2-methyl-2-phenylmorpholin-4-yl)methanone is CC1(c2ccccc2)CN(C(=O)C2(C(F)F)CC2)CCO1.
What is the InChIKey of [1-(difluoromethyl)cyclopropyl]-(2-methyl-2-phenylmorpholin-4-yl)methanone?
The InChIKey is ZATANPYSYKFIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2NO2/c1-15(12-5-3-2-4-6-12)11-19(9-10-21-15)14(20)16(7-8-16)13(17)18/h2-6,13H,7-11H2,1H3.
What are the key properties of [1-(difluoromethyl)cyclopropyl]-(2-methyl-2-phenylmorpholin-4-yl)methanone?
[1-(difluoromethyl)cyclopropyl]-(2-methyl-2-phenylmorpholin-4-yl)methanone has a molecular weight of 295.33 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(difluoromethyl)cyclopropyl]-(2-methyl-2-phenylmorpholin-4-yl)methanone is sourced from PubChem (CID 126817191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).