2-(1-methoxycyclobutyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide

C10H16F3NO3 — CID 103524806

IUPAC2-(1-methoxycyclobutyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESCOC1(CC(=O)NCC(O)C(F)(F)F)CCC1
InChIInChI=1S/C10H16F3NO3/c1-17-9(3-2-4-9)5-8(16)14-6-7(15)10(11,12)13/h7,15H,2-6H2,1H3,(H,14,16)
InChIKeyGFKMMUJAWWPYHK-UHFFFAOYSA-N
MW255.24 g/mol
LogP0.99
Rot. Bonds5

About 2-(1-methoxycyclobutyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide

2-(1-methoxycyclobutyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (PubChem CID 103524806) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 2-(1-methoxycyclobutyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-(1-methoxycyclobutyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
PubChem CID103524806
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Name2-(1-methoxycyclobutyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESCOC1(CC(=O)NCC(O)C(F)(F)F)CCC1
InChIInChI=1S/C10H16F3NO3/c1-17-9(3-2-4-9)5-8(16)14-6-7(15)10(11,12)13/h7,15H,2-6H2,1H3,(H,14,16)
InChIKeyGFKMMUJAWWPYHK-UHFFFAOYSA-N
XLogP0.99
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-difluoro-2-(1-hydroxycyclobutyl)-N-(2-methoxycyclohexyl)acetamide
CID 75482770
2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(1S,2R)-2-methoxycyclohexyl]acetamide
CID 97329759
2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(1S,2S)-2-methoxycyclohexyl]acetamide
CID 97329760
2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(1R,2R)-2-methoxycyclohexyl]acetamide
CID 97329761
2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(1R,2S)-2-methoxycyclohexyl]acetamide
CID 97329762
3-(2,2-difluoroethoxy)-N-[(1-hydroxycyclobutyl)methyl]propanamide
CID 103209186
2-(3-ethoxycyclobutyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103279654
N-(3,3-difluoro-2-hydroxypropyl)-2-(1-methoxycyclobutyl)acetamide
CID 103525099
3-(2,2-difluoroethoxy)-N-(3-ethyl-2-hydroxypentyl)propanamide
CID 103525105
N-(2-hydroxyethyl)-2-(1-methoxycyclobutyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 103526182
N-(2,2-difluoro-3-hydroxypropyl)-2-(1-methoxycyclobutyl)acetamide
CID 103526984
N-(3-amino-2,2-difluoropropyl)-2-(1-methoxycyclobutyl)acetamide
CID 103557394

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycyclobutyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The IUPAC name of 2-(1-methoxycyclobutyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (CID 103524806) is 2-(1-methoxycyclobutyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.
What is the SMILES notation for 2-(1-methoxycyclobutyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The canonical SMILES for 2-(1-methoxycyclobutyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is COC1(CC(=O)NCC(O)C(F)(F)F)CCC1.
What is the InChIKey of 2-(1-methoxycyclobutyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The InChIKey is GFKMMUJAWWPYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c1-17-9(3-2-4-9)5-8(16)14-6-7(15)10(11,12)13/h7,15H,2-6H2,1H3,(H,14,16).
What are the key properties of 2-(1-methoxycyclobutyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
2-(1-methoxycyclobutyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide has a molecular weight of 255.24 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycyclobutyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is sourced from PubChem (CID 103524806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).