2,2,2-trifluoro-N-[2-(1-hydroxycyclobutyl)ethyl]acetamide

C8H12F3NO2 — CID 126971609

IUPAC2,2,2-trifluoro-N-[2-(1-hydroxycyclobutyl)ethyl]acetamide
SMILESO=C(NCCC1(O)CCC1)C(F)(F)F
InChIInChI=1S/C8H12F3NO2/c9-8(10,11)6(13)12-5-4-7(14)2-1-3-7/h14H,1-5H2,(H,12,13)
InChIKeyDTMCAPQJLBMVNQ-UHFFFAOYSA-N
MW211.18 g/mol
LogP0.97
Rot. Bonds3

About 2,2,2-trifluoro-N-[2-(1-hydroxycyclobutyl)ethyl]acetamide

2,2,2-trifluoro-N-[2-(1-hydroxycyclobutyl)ethyl]acetamide (PubChem CID 126971609) has the molecular formula C8H12F3NO2 and a molecular weight of 211.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(1-hydroxycyclobutyl)ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(1-hydroxycyclobutyl)ethyl]acetamide
PubChem CID126971609
Molecular FormulaC8H12F3NO2
Molecular Weight211.18 g/mol
Exact Mass211.08
IUPAC Name2,2,2-trifluoro-N-[2-(1-hydroxycyclobutyl)ethyl]acetamide
SMILESO=C(NCCC1(O)CCC1)C(F)(F)F
InChIInChI=1S/C8H12F3NO2/c9-8(10,11)6(13)12-5-4-7(14)2-1-3-7/h14H,1-5H2,(H,12,13)
InChIKeyDTMCAPQJLBMVNQ-UHFFFAOYSA-N
XLogP0.97
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(1-hydroxycyclobutyl)ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-(1-hydroxycyclobutyl)ethyl]acetamide (CID 126971609) is 2,2,2-trifluoro-N-[2-(1-hydroxycyclobutyl)ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(1-hydroxycyclobutyl)ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(1-hydroxycyclobutyl)ethyl]acetamide is O=C(NCCC1(O)CCC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(1-hydroxycyclobutyl)ethyl]acetamide?
The InChIKey is DTMCAPQJLBMVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO2/c9-8(10,11)6(13)12-5-4-7(14)2-1-3-7/h14H,1-5H2,(H,12,13).
What are the key properties of 2,2,2-trifluoro-N-[2-(1-hydroxycyclobutyl)ethyl]acetamide?
2,2,2-trifluoro-N-[2-(1-hydroxycyclobutyl)ethyl]acetamide has a molecular weight of 211.18 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(1-hydroxycyclobutyl)ethyl]acetamide is sourced from PubChem (CID 126971609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).