N-(4-ethoxy-3-hydroxy-3-methylbutyl)-2,2,2-trifluoroacetamide

C9H16F3NO3 — CID 58593343

IUPACN-(4-ethoxy-3-hydroxy-3-methylbutyl)-2,2,2-trifluoroacetamide
SMILESCCOCC(C)(O)CCNC(=O)C(F)(F)F
InChIInChI=1S/C9H16F3NO3/c1-3-16-6-8(2,15)4-5-13-7(14)9(10,11)12/h15H,3-6H2,1-2H3,(H,13,14)
InChIKeyHIHGSYIMWMIGMI-UHFFFAOYSA-N
MW243.22 g/mol
LogP0.84
Rot. Bonds6

About N-(4-ethoxy-3-hydroxy-3-methylbutyl)-2,2,2-trifluoroacetamide

N-(4-ethoxy-3-hydroxy-3-methylbutyl)-2,2,2-trifluoroacetamide (PubChem CID 58593343) has the molecular formula C9H16F3NO3 and a molecular weight of 243.22 g/mol. Its IUPAC name is N-(4-ethoxy-3-hydroxy-3-methylbutyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(4-ethoxy-3-hydroxy-3-methylbutyl)-2,2,2-trifluoroacetamide
PubChem CID58593343
Molecular FormulaC9H16F3NO3
Molecular Weight243.22 g/mol
Exact Mass243.11
IUPAC NameN-(4-ethoxy-3-hydroxy-3-methylbutyl)-2,2,2-trifluoroacetamide
SMILESCCOCC(C)(O)CCNC(=O)C(F)(F)F
InChIInChI=1S/C9H16F3NO3/c1-3-16-6-8(2,15)4-5-13-7(14)9(10,11)12/h15H,3-6H2,1-2H3,(H,13,14)
InChIKeyHIHGSYIMWMIGMI-UHFFFAOYSA-N
XLogP0.84
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethoxybutyl)-2,2,2-trifluoroacetamide
CID 130756999
2,2-dimethyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]propanamide
CID 108537712
N-ethyl-2,2,2-trifluoroacetamide
CID 581108
2,2,2-trifluoro-N-[3-(methoxyamino)propyl]acetamide
CID 130627633
N-(3-ethoxypropyl)-2,2-dimethylpropanamide
CID 60717995
ethyl 4-[(2,2,2-trifluoroacetyl)amino]butanoate
CID 62734875
2,2,2-trifluoro-N-icosylacetamide
CID 91692791
N-dodecyl-2-(18F)fluoro-2,2-difluoroacetamide
CID 177484696
N-(4,4-dimethyltridecyl)-2,2,2-trifluoroacetamide
CID 150813708
2,2,2-trifluoro-N-[2-[(triethoxy-lambda5-phosphanylidene)amino]ethyl]acetamide
CID 13173260
ethoxy-[3-[(2,2,2-trifluoroacetyl)amino]propyl]phosphinic acid
CID 59131645
2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl carbamate
CID 175081117

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3-hydroxy-3-methylbutyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(4-ethoxy-3-hydroxy-3-methylbutyl)-2,2,2-trifluoroacetamide (CID 58593343) is N-(4-ethoxy-3-hydroxy-3-methylbutyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(4-ethoxy-3-hydroxy-3-methylbutyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(4-ethoxy-3-hydroxy-3-methylbutyl)-2,2,2-trifluoroacetamide is CCOCC(C)(O)CCNC(=O)C(F)(F)F.
What is the InChIKey of N-(4-ethoxy-3-hydroxy-3-methylbutyl)-2,2,2-trifluoroacetamide?
The InChIKey is HIHGSYIMWMIGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO3/c1-3-16-6-8(2,15)4-5-13-7(14)9(10,11)12/h15H,3-6H2,1-2H3,(H,13,14).
What are the key properties of N-(4-ethoxy-3-hydroxy-3-methylbutyl)-2,2,2-trifluoroacetamide?
N-(4-ethoxy-3-hydroxy-3-methylbutyl)-2,2,2-trifluoroacetamide has a molecular weight of 243.22 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3-hydroxy-3-methylbutyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 58593343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).