2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-(4-methoxyphenyl)propan-1-one

C14H19F2NO3 — CID 107481165

IUPAC2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(C(=O)C(C)N(CCO)CC(F)F)cc1
InChIInChI=1S/C14H19F2NO3/c1-10(17(7-8-18)9-13(15)16)14(19)11-3-5-12(20-2)6-4-11/h3-6,10,13,18H,7-9H2,1-2H3
InChIKeyLWFLWAHDXQVJSI-UHFFFAOYSA-N
MW287.31 g/mol
LogP1.83
Rot. Bonds8

About 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-(4-methoxyphenyl)propan-1-one

2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-(4-methoxyphenyl)propan-1-one (PubChem CID 107481165) has the molecular formula C14H19F2NO3 and a molecular weight of 287.31 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-(4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-(4-methoxyphenyl)propan-1-one
PubChem CID107481165
Molecular FormulaC14H19F2NO3
Molecular Weight287.31 g/mol
Exact Mass287.13
IUPAC Name2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(C(=O)C(C)N(CCO)CC(F)F)cc1
InChIInChI=1S/C14H19F2NO3/c1-10(17(7-8-18)9-13(15)16)14(19)11-3-5-12(20-2)6-4-11/h3-6,10,13,18H,7-9H2,1-2H3
InChIKeyLWFLWAHDXQVJSI-UHFFFAOYSA-N
XLogP1.83
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl(2-hydroxyethyl)amino]-1,2-bis(4-methoxyphenyl)ethanone;hydrochloride
CID 54601247
2-[ethyl-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-N,N-dimethylacetamide
CID 62037090
3-[2-methoxyethyl-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]propanenitrile
CID 63285300
2,2-difluoro-1-(4-methoxyphenyl)ethanone
CID 11593558
2-[2-methoxyethyl(methyl)amino]-1-(4-methoxyphenyl)propan-1-one
CID 61427604
(3S)-4-(4-methoxyphenyl)-N,N,3-trimethyl-4-oxobutanamide
CID 101399645
2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methoxybenzamide
CID 107477866
2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-phenylpropan-1-one
CID 107481265
2,3-bis(4-methoxybenzoyl)-1,4-bis(4-methoxyphenyl)butane-1,4-dione
CID 3648673
1-(4-methoxyphenyl)-2-methylbutan-1-one
CID 12600283
ethyl (2R)-3-(4-methoxyphenyl)-2-methyl-3-oxopropanoate
CID 97035569
3-(dimethylamino)-2-[(dimethylamino)methyl]-1-(4-methoxyphenyl)propan-1-one;hydrochloride
CID 54607588

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-(4-methoxyphenyl)propan-1-one?
The IUPAC name of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-(4-methoxyphenyl)propan-1-one (CID 107481165) is 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-(4-methoxyphenyl)propan-1-one.
What is the SMILES notation for 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-(4-methoxyphenyl)propan-1-one?
The canonical SMILES for 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-(4-methoxyphenyl)propan-1-one is COc1ccc(C(=O)C(C)N(CCO)CC(F)F)cc1.
What is the InChIKey of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-(4-methoxyphenyl)propan-1-one?
The InChIKey is LWFLWAHDXQVJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO3/c1-10(17(7-8-18)9-13(15)16)14(19)11-3-5-12(20-2)6-4-11/h3-6,10,13,18H,7-9H2,1-2H3.
What are the key properties of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-(4-methoxyphenyl)propan-1-one?
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-(4-methoxyphenyl)propan-1-one has a molecular weight of 287.31 g/mol, XLogP of 1.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-(4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 107481165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).