3,3-difluoro-N-(3-hydroxy-3-methylcyclobutyl)-2,2-dimethylpropanamide

C10H17F2NO2 — CID 126790846

IUPAC3,3-difluoro-N-(3-hydroxy-3-methylcyclobutyl)-2,2-dimethylpropanamide
SMILESCC1(O)CC(NC(=O)C(C)(C)C(F)F)C1
InChIInChI=1S/C10H17F2NO2/c1-9(2,7(11)12)8(14)13-6-4-10(3,15)5-6/h6-7,15H,4-5H2,1-3H3,(H,13,14)
InChIKeyQJBBLSHWXBTSIL-UHFFFAOYSA-N
MW221.25 g/mol
LogP1.31
Rot. Bonds3

About 3,3-difluoro-N-(3-hydroxy-3-methylcyclobutyl)-2,2-dimethylpropanamide

3,3-difluoro-N-(3-hydroxy-3-methylcyclobutyl)-2,2-dimethylpropanamide (PubChem CID 126790846) has the molecular formula C10H17F2NO2 and a molecular weight of 221.25 g/mol. Its IUPAC name is 3,3-difluoro-N-(3-hydroxy-3-methylcyclobutyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3,3-difluoro-N-(3-hydroxy-3-methylcyclobutyl)-2,2-dimethylpropanamide
PubChem CID126790846
Molecular FormulaC10H17F2NO2
Molecular Weight221.25 g/mol
Exact Mass221.12
IUPAC Name3,3-difluoro-N-(3-hydroxy-3-methylcyclobutyl)-2,2-dimethylpropanamide
SMILESCC1(O)CC(NC(=O)C(C)(C)C(F)F)C1
InChIInChI=1S/C10H17F2NO2/c1-9(2,7(11)12)8(14)13-6-4-10(3,15)5-6/h6-7,15H,4-5H2,1-3H3,(H,13,14)
InChIKeyQJBBLSHWXBTSIL-UHFFFAOYSA-N
XLogP1.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-(3-hydroxy-3-methylcyclobutyl)-2,2-dimethylpropanamide?
The IUPAC name of 3,3-difluoro-N-(3-hydroxy-3-methylcyclobutyl)-2,2-dimethylpropanamide (CID 126790846) is 3,3-difluoro-N-(3-hydroxy-3-methylcyclobutyl)-2,2-dimethylpropanamide.
What is the SMILES notation for 3,3-difluoro-N-(3-hydroxy-3-methylcyclobutyl)-2,2-dimethylpropanamide?
The canonical SMILES for 3,3-difluoro-N-(3-hydroxy-3-methylcyclobutyl)-2,2-dimethylpropanamide is CC1(O)CC(NC(=O)C(C)(C)C(F)F)C1.
What is the InChIKey of 3,3-difluoro-N-(3-hydroxy-3-methylcyclobutyl)-2,2-dimethylpropanamide?
The InChIKey is QJBBLSHWXBTSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO2/c1-9(2,7(11)12)8(14)13-6-4-10(3,15)5-6/h6-7,15H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 3,3-difluoro-N-(3-hydroxy-3-methylcyclobutyl)-2,2-dimethylpropanamide?
3,3-difluoro-N-(3-hydroxy-3-methylcyclobutyl)-2,2-dimethylpropanamide has a molecular weight of 221.25 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-(3-hydroxy-3-methylcyclobutyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 126790846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).