3-(2,2-difluoroethoxy)-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide

C10H19F2NO3 — CID 103209014

IUPAC3-(2,2-difluoroethoxy)-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide
SMILESCC(C)N(CCO)C(=O)CCOCC(F)F
InChIInChI=1S/C10H19F2NO3/c1-8(2)13(4-5-14)10(15)3-6-16-7-9(11)12/h8-9,14H,3-7H2,1-2H3
InChIKeyAWMQGKAYHILEPE-UHFFFAOYSA-N
MW239.26 g/mol
LogP0.89
Rot. Bonds8

About 3-(2,2-difluoroethoxy)-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide

3-(2,2-difluoroethoxy)-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide (PubChem CID 103209014) has the molecular formula C10H19F2NO3 and a molecular weight of 239.26 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide
PubChem CID103209014
Molecular FormulaC10H19F2NO3
Molecular Weight239.26 g/mol
Exact Mass239.13
IUPAC Name3-(2,2-difluoroethoxy)-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide
SMILESCC(C)N(CCO)C(=O)CCOCC(F)F
InChIInChI=1S/C10H19F2NO3/c1-8(2)13(4-5-14)10(15)3-6-16-7-9(11)12/h8-9,14H,3-7H2,1-2H3
InChIKeyAWMQGKAYHILEPE-UHFFFAOYSA-N
XLogP0.89
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-hydroxybutan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 43417841
N-(1-hydroxypropan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 43418548
3,3,3-trifluoro-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide
CID 43573113
N-(2-hydroxyethyl)-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propanamide
CID 43573602
N-cyclopropyl-N-(2-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 43577193
N-(3-hydroxypropyl)-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propanamide
CID 54917438
2-[Butan-2-yl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid
CID 54925780
N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide
CID 54993383
N-cyclopentyl-N-(2-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 54993977
N-(2-hydroxyethyl)-N-pentan-3-yl-3-(2,2,2-trifluoroethoxy)propanamide
CID 54994415
2-[Propan-2-yl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid
CID 60831042
3,3,3-trifluoro-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide
CID 61039024

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide (CID 103209014) is 3-(2,2-difluoroethoxy)-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide is CC(C)N(CCO)C(=O)CCOCC(F)F.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide?
The InChIKey is AWMQGKAYHILEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO3/c1-8(2)13(4-5-14)10(15)3-6-16-7-9(11)12/h8-9,14H,3-7H2,1-2H3.
What are the key properties of 3-(2,2-difluoroethoxy)-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide?
3-(2,2-difluoroethoxy)-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide has a molecular weight of 239.26 g/mol, XLogP of 0.89, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 103209014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).