N,N-bis(2-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide

C9H16F3NO4 — CID 61235279

IUPACN,N-bis(2-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESO=C(CCOCC(F)(F)F)N(CCO)CCO
InChIInChI=1S/C9H16F3NO4/c10-9(11,12)7-17-6-1-8(16)13(2-4-14)3-5-15/h14-15H,1-7H2
InChIKeyIYNAWLBKWQEKRD-UHFFFAOYSA-N
MW259.22 g/mol
LogP-0.23
Rot. Bonds8

About N,N-bis(2-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide

N,N-bis(2-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 61235279) has the molecular formula C9H16F3NO4 and a molecular weight of 259.22 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID61235279
Molecular FormulaC9H16F3NO4
Molecular Weight259.22 g/mol
Exact Mass259.10
IUPAC NameN,N-bis(2-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESO=C(CCOCC(F)(F)F)N(CCO)CCO
InChIInChI=1S/C9H16F3NO4/c10-9(11,12)7-17-6-1-8(16)13(2-4-14)3-5-15/h14-15H,1-7H2
InChIKeyIYNAWLBKWQEKRD-UHFFFAOYSA-N
XLogP-0.23
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.22
LogP ≤ 5-0.23
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

2-[Methyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid
CID 43356205
1-[4-(2-Hydroxyethyl)piperazin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 43417409
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
2-[Ethyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid
CID 54901511
N-(3-hydroxypropyl)-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propanamide
CID 54917438
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-[Propyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid
CID 61013011
2-[2-Methoxyethyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid
CID 61537371
N-(2-hydroxypropyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide
CID 62334056

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N,N-bis(2-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide (CID 61235279) is N,N-bis(2-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N,N-bis(2-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide is O=C(CCOCC(F)(F)F)N(CCO)CCO.
What is the InChIKey of N,N-bis(2-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is IYNAWLBKWQEKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO4/c10-9(11,12)7-17-6-1-8(16)13(2-4-14)3-5-15/h14-15H,1-7H2.
What are the key properties of N,N-bis(2-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide?
N,N-bis(2-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 259.22 g/mol, XLogP of -0.23, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 61235279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).