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

C9H15F2NO2 — CID 103514023

IUPACN-cyclobutyl-2,2-difluoro-N-(3-hydroxypropyl)acetamide
SMILESO=C(C(F)F)N(CCCO)C1CCC1
InChIInChI=1S/C9H15F2NO2/c10-8(11)9(14)12(5-2-6-13)7-3-1-4-7/h7-8,13H,1-6H2
InChIKeyIBXCBMPLSNCLEK-UHFFFAOYSA-N
MW207.22 g/mol
LogP1.01
Rot. Bonds5

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

N-cyclobutyl-2,2-difluoro-N-(3-hydroxypropyl)acetamide (PubChem CID 103514023) has the molecular formula C9H15F2NO2 and a molecular weight of 207.22 g/mol. Its IUPAC name is N-cyclobutyl-2,2-difluoro-N-(3-hydroxypropyl)acetamide.

Molecular Properties

Compound NameN-cyclobutyl-2,2-difluoro-N-(3-hydroxypropyl)acetamide
PubChem CID103514023
Molecular FormulaC9H15F2NO2
Molecular Weight207.22 g/mol
Exact Mass207.11
IUPAC NameN-cyclobutyl-2,2-difluoro-N-(3-hydroxypropyl)acetamide
SMILESO=C(C(F)F)N(CCCO)C1CCC1
InChIInChI=1S/C9H15F2NO2/c10-8(11)9(14)12(5-2-6-13)7-3-1-4-7/h7-8,13H,1-6H2
InChIKeyIBXCBMPLSNCLEK-UHFFFAOYSA-N
XLogP1.01
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclobutyl-2-ethyl-N-(3-hydroxypropyl)hexanamide
CID 102866331
2-[cyclobutyl(3-hydroxypropyl)carbamoyl]-3,3-dimethylbutanoic acid
CID 102866004
N-cyclohexyl-N-ethyl-2,2-difluoroacetamide
CID 103515263
6-amino-N-cyclobutyl-N-(3-hydroxypropyl)-2-methylheptanamide
CID 102861762
1-cyclobutyl-1-(3-hydroxypropyl)-3-propan-2-ylurea
CID 102846228
(2S)-2-amino-N-cyclobutyl-N-(3-hydroxypropyl)-2-phenylacetamide
CID 102861821
N-cyclobutyl-N-(3-hydroxypropyl)-2-phenylpropanamide
CID 102978246
2-chloro-N-cyclobutyl-N-(3-hydroxypropyl)-2-phenylacetamide
CID 102861176
N-[1-[cyclobutyl(3-hydroxypropyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 102866389
N-cyclobutyl-N-(3-hydroxypropyl)cyclooctanecarboxamide
CID 102866891
5-amino-N-cyclobutyl-N-(3-hydroxypropyl)pentanamide
CID 102861717
ethyl 2-[cyclobutyl(3-hydroxypropyl)carbamoyl]-3,3-dimethylbutanoate
CID 102865998

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-2,2-difluoro-N-(3-hydroxypropyl)acetamide?
The IUPAC name of N-cyclobutyl-2,2-difluoro-N-(3-hydroxypropyl)acetamide (CID 103514023) is N-cyclobutyl-2,2-difluoro-N-(3-hydroxypropyl)acetamide.
What is the SMILES notation for N-cyclobutyl-2,2-difluoro-N-(3-hydroxypropyl)acetamide?
The canonical SMILES for N-cyclobutyl-2,2-difluoro-N-(3-hydroxypropyl)acetamide is O=C(C(F)F)N(CCCO)C1CCC1.
What is the InChIKey of N-cyclobutyl-2,2-difluoro-N-(3-hydroxypropyl)acetamide?
The InChIKey is IBXCBMPLSNCLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO2/c10-8(11)9(14)12(5-2-6-13)7-3-1-4-7/h7-8,13H,1-6H2.
What are the key properties of N-cyclobutyl-2,2-difluoro-N-(3-hydroxypropyl)acetamide?
N-cyclobutyl-2,2-difluoro-N-(3-hydroxypropyl)acetamide has a molecular weight of 207.22 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-2,2-difluoro-N-(3-hydroxypropyl)acetamide is sourced from PubChem (CID 103514023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).