N-(2-cyclopropyl-2-hydroxyethyl)-3-(2,2-difluoroethoxy)propanamide

C10H17F2NO3 — CID 103209062

IUPACN-(2-cyclopropyl-2-hydroxyethyl)-3-(2,2-difluoroethoxy)propanamide
SMILESO=C(CCOCC(F)F)NCC(O)C1CC1
InChIInChI=1S/C10H17F2NO3/c11-9(12)6-16-4-3-10(15)13-5-8(14)7-1-2-7/h7-9,14H,1-6H2,(H,13,15)
InChIKeyHUKVSKILBMYAET-UHFFFAOYSA-N
MW237.25 g/mol
LogP0.55
Rot. Bonds8

About N-(2-cyclopropyl-2-hydroxyethyl)-3-(2,2-difluoroethoxy)propanamide

N-(2-cyclopropyl-2-hydroxyethyl)-3-(2,2-difluoroethoxy)propanamide (PubChem CID 103209062) has the molecular formula C10H17F2NO3 and a molecular weight of 237.25 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxyethyl)-3-(2,2-difluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxyethyl)-3-(2,2-difluoroethoxy)propanamide
PubChem CID103209062
Molecular FormulaC10H17F2NO3
Molecular Weight237.25 g/mol
Exact Mass237.12
IUPAC NameN-(2-cyclopropyl-2-hydroxyethyl)-3-(2,2-difluoroethoxy)propanamide
SMILESO=C(CCOCC(F)F)NCC(O)C1CC1
InChIInChI=1S/C10H17F2NO3/c11-9(12)6-16-4-3-10(15)13-5-8(14)7-1-2-7/h7-9,14H,1-6H2,(H,13,15)
InChIKeyHUKVSKILBMYAET-UHFFFAOYSA-N
XLogP0.55
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.55
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-(2-cyclopropyl-2-hydroxyethyl)-3-(2,2-difluoroethoxy)propanamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-3-(2,2-difluoroethoxy)propanamide (CID 103209062) is N-(2-cyclopropyl-2-hydroxyethyl)-3-(2,2-difluoroethoxy)propanamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxyethyl)-3-(2,2-difluoroethoxy)propanamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxyethyl)-3-(2,2-difluoroethoxy)propanamide is O=C(CCOCC(F)F)NCC(O)C1CC1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxyethyl)-3-(2,2-difluoroethoxy)propanamide?
The InChIKey is HUKVSKILBMYAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO3/c11-9(12)6-16-4-3-10(15)13-5-8(14)7-1-2-7/h7-9,14H,1-6H2,(H,13,15).
What are the key properties of N-(2-cyclopropyl-2-hydroxyethyl)-3-(2,2-difluoroethoxy)propanamide?
N-(2-cyclopropyl-2-hydroxyethyl)-3-(2,2-difluoroethoxy)propanamide has a molecular weight of 237.25 g/mol, XLogP of 0.55, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxyethyl)-3-(2,2-difluoroethoxy)propanamide is sourced from PubChem (CID 103209062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).