N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2,2,2-trifluoroethoxy)propanamide

C10H16F3NO3 — CID 80708954

IUPACN-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2,2,2-trifluoroethoxy)propanamide
SMILESO=C(CCOCC(F)(F)F)NCC1(CO)CC1
InChIInChI=1S/C10H16F3NO3/c11-10(12,13)7-17-4-1-8(16)14-5-9(6-15)2-3-9/h15H,1-7H2,(H,14,16)
InChIKeyPODZGBGXGVHQLS-UHFFFAOYSA-N
MW255.24 g/mol
LogP0.84
Rot. Bonds7

About N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2,2,2-trifluoroethoxy)propanamide

N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 80708954) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID80708954
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2,2,2-trifluoroethoxy)propanamide
SMILESO=C(CCOCC(F)(F)F)NCC1(CO)CC1
InChIInChI=1S/C10H16F3NO3/c11-10(12,13)7-17-4-1-8(16)14-5-9(6-15)2-3-9/h15H,1-7H2,(H,14,16)
InChIKeyPODZGBGXGVHQLS-UHFFFAOYSA-N
XLogP0.84
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2,2,2-trifluoroethoxy)propanamide (CID 80708954) is N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2,2,2-trifluoroethoxy)propanamide is O=C(CCOCC(F)(F)F)NCC1(CO)CC1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is PODZGBGXGVHQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c11-10(12,13)7-17-4-1-8(16)14-5-9(6-15)2-3-9/h15H,1-7H2,(H,14,16).
What are the key properties of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2,2,2-trifluoroethoxy)propanamide?
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 255.24 g/mol, XLogP of 0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 80708954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).