N-ethyl-3,3,3-trifluoro-N-(3-hydroxypropyl)propanamide

C8H14F3NO2 — CID 115771977

IUPACN-ethyl-3,3,3-trifluoro-N-(3-hydroxypropyl)propanamide
SMILESCCN(CCCO)C(=O)CC(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-2-12(4-3-5-13)7(14)6-8(9,10)11/h13H,2-6H2,1H3
InChIKeyVYPJBYXRIQEZRH-UHFFFAOYSA-N
MW213.20 g/mol
LogP1.17
Rot. Bonds5

About N-ethyl-3,3,3-trifluoro-N-(3-hydroxypropyl)propanamide

N-ethyl-3,3,3-trifluoro-N-(3-hydroxypropyl)propanamide (PubChem CID 115771977) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is N-ethyl-3,3,3-trifluoro-N-(3-hydroxypropyl)propanamide.

Molecular Properties

Compound NameN-ethyl-3,3,3-trifluoro-N-(3-hydroxypropyl)propanamide
PubChem CID115771977
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC NameN-ethyl-3,3,3-trifluoro-N-(3-hydroxypropyl)propanamide
SMILESCCN(CCCO)C(=O)CC(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-2-12(4-3-5-13)7(14)6-8(9,10)11/h13H,2-6H2,1H3
InChIKeyVYPJBYXRIQEZRH-UHFFFAOYSA-N
XLogP1.17
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,3,3-trifluoro-N-(3-hydroxypropyl)propanamide?
The IUPAC name of N-ethyl-3,3,3-trifluoro-N-(3-hydroxypropyl)propanamide (CID 115771977) is N-ethyl-3,3,3-trifluoro-N-(3-hydroxypropyl)propanamide.
What is the SMILES notation for N-ethyl-3,3,3-trifluoro-N-(3-hydroxypropyl)propanamide?
The canonical SMILES for N-ethyl-3,3,3-trifluoro-N-(3-hydroxypropyl)propanamide is CCN(CCCO)C(=O)CC(F)(F)F.
What is the InChIKey of N-ethyl-3,3,3-trifluoro-N-(3-hydroxypropyl)propanamide?
The InChIKey is VYPJBYXRIQEZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2/c1-2-12(4-3-5-13)7(14)6-8(9,10)11/h13H,2-6H2,1H3.
What are the key properties of N-ethyl-3,3,3-trifluoro-N-(3-hydroxypropyl)propanamide?
N-ethyl-3,3,3-trifluoro-N-(3-hydroxypropyl)propanamide has a molecular weight of 213.20 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,3,3-trifluoro-N-(3-hydroxypropyl)propanamide is sourced from PubChem (CID 115771977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).