3,3,3-trifluoro-N-[[(1R,2S)-2-(hydroxymethyl)-3-propylcyclobutyl]methyl]propanamide

C12H20F3NO2 — CID 157466471

IUPAC3,3,3-trifluoro-N-[[(1R,2S)-2-(hydroxymethyl)-3-propylcyclobutyl]methyl]propanamide
SMILESCCCC1C[C@@H](CNC(=O)CC(F)(F)F)[C@H]1CO
InChIInChI=1S/C12H20F3NO2/c1-2-3-8-4-9(10(8)7-17)6-16-11(18)5-12(13,14)15/h8-10,17H,2-7H2,1H3,(H,16,18)/t8?,9-,10-/m0/s1
InChIKeyBUNPJKONSHITIS-AGROOBSYSA-N
MW267.29 g/mol
LogP2.10
Rot. Bonds6

About 3,3,3-trifluoro-N-[[(1R,2S)-2-(hydroxymethyl)-3-propylcyclobutyl]methyl]propanamide

3,3,3-trifluoro-N-[[(1R,2S)-2-(hydroxymethyl)-3-propylcyclobutyl]methyl]propanamide (PubChem CID 157466471) has the molecular formula C12H20F3NO2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[[(1R,2S)-2-(hydroxymethyl)-3-propylcyclobutyl]methyl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[[(1R,2S)-2-(hydroxymethyl)-3-propylcyclobutyl]methyl]propanamide
PubChem CID157466471
Molecular FormulaC12H20F3NO2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC Name3,3,3-trifluoro-N-[[(1R,2S)-2-(hydroxymethyl)-3-propylcyclobutyl]methyl]propanamide
SMILESCCCC1C[C@@H](CNC(=O)CC(F)(F)F)[C@H]1CO
InChIInChI=1S/C12H20F3NO2/c1-2-3-8-4-9(10(8)7-17)6-16-11(18)5-12(13,14)15/h8-10,17H,2-7H2,1H3,(H,16,18)/t8?,9-,10-/m0/s1
InChIKeyBUNPJKONSHITIS-AGROOBSYSA-N
XLogP2.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[[(1R,2S)-2-(hydroxymethyl)-3-propylcyclobutyl]methyl]propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[[(1R,2S)-2-(hydroxymethyl)-3-propylcyclobutyl]methyl]propanamide (CID 157466471) is 3,3,3-trifluoro-N-[[(1R,2S)-2-(hydroxymethyl)-3-propylcyclobutyl]methyl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[[(1R,2S)-2-(hydroxymethyl)-3-propylcyclobutyl]methyl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[[(1R,2S)-2-(hydroxymethyl)-3-propylcyclobutyl]methyl]propanamide is CCCC1C[C@@H](CNC(=O)CC(F)(F)F)[C@H]1CO.
What is the InChIKey of 3,3,3-trifluoro-N-[[(1R,2S)-2-(hydroxymethyl)-3-propylcyclobutyl]methyl]propanamide?
The InChIKey is BUNPJKONSHITIS-AGROOBSYSA-N. The full InChI is InChI=1S/C12H20F3NO2/c1-2-3-8-4-9(10(8)7-17)6-16-11(18)5-12(13,14)15/h8-10,17H,2-7H2,1H3,(H,16,18)/t8?,9-,10-/m0/s1.
What are the key properties of 3,3,3-trifluoro-N-[[(1R,2S)-2-(hydroxymethyl)-3-propylcyclobutyl]methyl]propanamide?
3,3,3-trifluoro-N-[[(1R,2S)-2-(hydroxymethyl)-3-propylcyclobutyl]methyl]propanamide has a molecular weight of 267.29 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[[(1R,2S)-2-(hydroxymethyl)-3-propylcyclobutyl]methyl]propanamide is sourced from PubChem (CID 157466471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).