2-cyclobutyl-N-(3,3-difluoro-2-hydroxypropyl)acetamide

C9H15F2NO2 — CID 103770533

IUPAC2-cyclobutyl-N-(3,3-difluoro-2-hydroxypropyl)acetamide
SMILESO=C(CC1CCC1)NCC(O)C(F)F
InChIInChI=1S/C9H15F2NO2/c10-9(11)7(13)5-12-8(14)4-6-2-1-3-6/h6-7,9,13H,1-5H2,(H,12,14)
InChIKeyKJTSCUFSYRMQHI-UHFFFAOYSA-N
MW207.22 g/mol
LogP0.92
Rot. Bonds5

About 2-cyclobutyl-N-(3,3-difluoro-2-hydroxypropyl)acetamide

2-cyclobutyl-N-(3,3-difluoro-2-hydroxypropyl)acetamide (PubChem CID 103770533) has the molecular formula C9H15F2NO2 and a molecular weight of 207.22 g/mol. Its IUPAC name is 2-cyclobutyl-N-(3,3-difluoro-2-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-cyclobutyl-N-(3,3-difluoro-2-hydroxypropyl)acetamide
PubChem CID103770533
Molecular FormulaC9H15F2NO2
Molecular Weight207.22 g/mol
Exact Mass207.11
IUPAC Name2-cyclobutyl-N-(3,3-difluoro-2-hydroxypropyl)acetamide
SMILESO=C(CC1CCC1)NCC(O)C(F)F
InChIInChI=1S/C9H15F2NO2/c10-9(11)7(13)5-12-8(14)4-6-2-1-3-6/h6-7,9,13H,1-5H2,(H,12,14)
InChIKeyKJTSCUFSYRMQHI-UHFFFAOYSA-N
XLogP0.92
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-(3,3-difluoro-2-hydroxypropyl)acetamide?
The IUPAC name of 2-cyclobutyl-N-(3,3-difluoro-2-hydroxypropyl)acetamide (CID 103770533) is 2-cyclobutyl-N-(3,3-difluoro-2-hydroxypropyl)acetamide.
What is the SMILES notation for 2-cyclobutyl-N-(3,3-difluoro-2-hydroxypropyl)acetamide?
The canonical SMILES for 2-cyclobutyl-N-(3,3-difluoro-2-hydroxypropyl)acetamide is O=C(CC1CCC1)NCC(O)C(F)F.
What is the InChIKey of 2-cyclobutyl-N-(3,3-difluoro-2-hydroxypropyl)acetamide?
The InChIKey is KJTSCUFSYRMQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO2/c10-9(11)7(13)5-12-8(14)4-6-2-1-3-6/h6-7,9,13H,1-5H2,(H,12,14).
What are the key properties of 2-cyclobutyl-N-(3,3-difluoro-2-hydroxypropyl)acetamide?
2-cyclobutyl-N-(3,3-difluoro-2-hydroxypropyl)acetamide has a molecular weight of 207.22 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-(3,3-difluoro-2-hydroxypropyl)acetamide is sourced from PubChem (CID 103770533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).