N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-2-methylpropanamide

C9H14F3NO2 — CID 167018545

IUPACN-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CC(O)(C(F)(F)F)C1
InChIInChI=1S/C9H14F3NO2/c1-5(2)7(14)13-6-3-8(15,4-6)9(10,11)12/h5-6,15H,3-4H2,1-2H3,(H,13,14)
InChIKeyGZJCMHDHPRCFSK-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.21
Rot. Bonds2

About N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-2-methylpropanamide

N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-2-methylpropanamide (PubChem CID 167018545) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-2-methylpropanamide
PubChem CID167018545
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC NameN-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CC(O)(C(F)(F)F)C1
InChIInChI=1S/C9H14F3NO2/c1-5(2)7(14)13-6-3-8(15,4-6)9(10,11)12/h5-6,15H,3-4H2,1-2H3,(H,13,14)
InChIKeyGZJCMHDHPRCFSK-UHFFFAOYSA-N
XLogP1.21
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-2-methylpropanamide?
The IUPAC name of N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-2-methylpropanamide (CID 167018545) is N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-2-methylpropanamide?
The canonical SMILES for N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-2-methylpropanamide is CC(C)C(=O)NC1CC(O)(C(F)(F)F)C1.
What is the InChIKey of N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-2-methylpropanamide?
The InChIKey is GZJCMHDHPRCFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c1-5(2)7(14)13-6-3-8(15,4-6)9(10,11)12/h5-6,15H,3-4H2,1-2H3,(H,13,14).
What are the key properties of N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-2-methylpropanamide?
N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-2-methylpropanamide has a molecular weight of 225.21 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-2-methylpropanamide is sourced from PubChem (CID 167018545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).