3-(2,2-difluoroethoxy)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide

C10H19F2NO4 — CID 103525153

IUPAC3-(2,2-difluoroethoxy)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide
SMILESCOCC(CCO)NC(=O)CCOCC(F)F
InChIInChI=1S/C10H19F2NO4/c1-16-6-8(2-4-14)13-10(15)3-5-17-7-9(11)12/h8-9,14H,2-7H2,1H3,(H,13,15)
InChIKeyVRMUXBIDTKIBLI-UHFFFAOYSA-N
MW255.26 g/mol
LogP0.17
Rot. Bonds10

About 3-(2,2-difluoroethoxy)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide

3-(2,2-difluoroethoxy)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide (PubChem CID 103525153) has the molecular formula C10H19F2NO4 and a molecular weight of 255.26 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide
PubChem CID103525153
Molecular FormulaC10H19F2NO4
Molecular Weight255.26 g/mol
Exact Mass255.13
IUPAC Name3-(2,2-difluoroethoxy)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide
SMILESCOCC(CCO)NC(=O)CCOCC(F)F
InChIInChI=1S/C10H19F2NO4/c1-16-6-8(2-4-14)13-10(15)3-5-17-7-9(11)12/h8-9,14H,2-7H2,1H3,(H,13,15)
InChIKeyVRMUXBIDTKIBLI-UHFFFAOYSA-N
XLogP0.17
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-4-oxobutanoic acid
CID 106155382
(2R)-2-[3-(2,2-difluoroethoxy)propanoylamino]-4-hydroxybutanoic acid
CID 107822809
2-[3-(2,2-difluoroethoxy)propanoylamino]propanoic acid
CID 103205780
3-(4-fluorophenoxy)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide
CID 103799162
4-[3-(2,2-difluoroethoxy)propanoylamino]pentanoic acid
CID 103206025
N-(4-aminobutan-2-yl)-3-(2,2-difluoroethoxy)propanamide
CID 103205439
3-cyclopentyl-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide
CID 103799344
3-(4-fluorophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide
CID 103799465
(2R)-2-[3-(2,2-difluoroethoxy)propanoylamino]-3-hydroxypropanoic acid
CID 103206146
N-(1-bromopropan-2-yl)-3-(2,2-difluoroethoxy)propanamide
CID 103212483
(2R)-2-[3-(2,2-difluoroethoxy)propanoylamino]pentanoic acid
CID 107562818
N-(4-amino-1-methoxybutan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 114150665

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide (CID 103525153) is 3-(2,2-difluoroethoxy)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide is COCC(CCO)NC(=O)CCOCC(F)F.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide?
The InChIKey is VRMUXBIDTKIBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO4/c1-16-6-8(2-4-14)13-10(15)3-5-17-7-9(11)12/h8-9,14H,2-7H2,1H3,(H,13,15).
What are the key properties of 3-(2,2-difluoroethoxy)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide?
3-(2,2-difluoroethoxy)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide has a molecular weight of 255.26 g/mol, XLogP of 0.17, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide is sourced from PubChem (CID 103525153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).