N-(2-cyclopropyl-2-hydroxyethyl)-2-(2,2,2-trifluoroethoxy)acetamide

C9H14F3NO3 — CID 103761280

IUPACN-(2-cyclopropyl-2-hydroxyethyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)NCC(O)C1CC1
InChIInChI=1S/C9H14F3NO3/c10-9(11,12)5-16-4-8(15)13-3-7(14)6-1-2-6/h6-7,14H,1-5H2,(H,13,15)
InChIKeyCXSXOWOQKUEHGK-UHFFFAOYSA-N
MW241.21 g/mol
LogP0.45
Rot. Bonds6

About N-(2-cyclopropyl-2-hydroxyethyl)-2-(2,2,2-trifluoroethoxy)acetamide

N-(2-cyclopropyl-2-hydroxyethyl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103761280) has the molecular formula C9H14F3NO3 and a molecular weight of 241.21 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxyethyl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxyethyl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103761280
Molecular FormulaC9H14F3NO3
Molecular Weight241.21 g/mol
Exact Mass241.09
IUPAC NameN-(2-cyclopropyl-2-hydroxyethyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)NCC(O)C1CC1
InChIInChI=1S/C9H14F3NO3/c10-9(11,12)5-16-4-8(15)13-3-7(14)6-1-2-6/h6-7,14H,1-5H2,(H,13,15)
InChIKeyCXSXOWOQKUEHGK-UHFFFAOYSA-N
XLogP0.45
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 2-[[2-(1-fluorocyclopropyl)-2-hydroxyethyl]amino]-2-oxoacetate
CID 177312501
N-(2-cyclopropyl-2-hydroxyethyl)-3,3,3-trifluoropropanamide
CID 63294604
N-(2-cyclopropyl-2-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 63295282
N-(2-cyclopropyl-2-hydroxyethyl)-2,2,2-trifluoroacetamide
CID 63298791
N-(2-cyclopropyl-2-hydroxyethyl)-4,4,4-trifluorobutanamide
CID 65711366
N-(2-cyclopropyl-2-hydroxyethyl)-3-(2,2-difluoroethoxy)propanamide
CID 103209062
N-[(3-hydroxycyclobutyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103209117
N-(2-hydroxy-2,4-dimethylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103209126
N-(2-hydroxybutyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103209173
N-(2-cyclopropyl-2-hydroxyethyl)-2,2-difluoroacetamide
CID 103513920
N-[(1-hydroxycyclobutyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103718215
N-(2-cyclopropyl-2-hydroxyethyl)-2,2,3,3-tetrafluoropropanamide
CID 103761262

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 103761280) is N-(2-cyclopropyl-2-hydroxyethyl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxyethyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxyethyl)-2-(2,2,2-trifluoroethoxy)acetamide is O=C(COCC(F)(F)F)NCC(O)C1CC1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxyethyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is CXSXOWOQKUEHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO3/c10-9(11,12)5-16-4-8(15)13-3-7(14)6-1-2-6/h6-7,14H,1-5H2,(H,13,15).
What are the key properties of N-(2-cyclopropyl-2-hydroxyethyl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(2-cyclopropyl-2-hydroxyethyl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 241.21 g/mol, XLogP of 0.45, 6 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)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103761280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).