2-(3,3-difluoro-1-hydroxycyclobutyl)-N-ethyl-N-methylacetamide

C9H15F2NO2 — CID 175987889

IUPAC2-(3,3-difluoro-1-hydroxycyclobutyl)-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CC1(O)CC(F)(F)C1
InChIInChI=1S/C9H15F2NO2/c1-3-12(2)7(13)4-8(14)5-9(10,11)6-8/h14H,3-6H2,1-2H3
InChIKeyFADUHLJFUVVNLS-UHFFFAOYSA-N
MW207.22 g/mol
LogP1.01
Rot. Bonds3

About 2-(3,3-difluoro-1-hydroxycyclobutyl)-N-ethyl-N-methylacetamide

2-(3,3-difluoro-1-hydroxycyclobutyl)-N-ethyl-N-methylacetamide (PubChem CID 175987889) has the molecular formula C9H15F2NO2 and a molecular weight of 207.22 g/mol. Its IUPAC name is 2-(3,3-difluoro-1-hydroxycyclobutyl)-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-(3,3-difluoro-1-hydroxycyclobutyl)-N-ethyl-N-methylacetamide
PubChem CID175987889
Molecular FormulaC9H15F2NO2
Molecular Weight207.22 g/mol
Exact Mass207.11
IUPAC Name2-(3,3-difluoro-1-hydroxycyclobutyl)-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CC1(O)CC(F)(F)C1
InChIInChI=1S/C9H15F2NO2/c1-3-12(2)7(13)4-8(14)5-9(10,11)6-8/h14H,3-6H2,1-2H3
InChIKeyFADUHLJFUVVNLS-UHFFFAOYSA-N
XLogP1.01
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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-ethyl-N,3-dimethylbutanamide
CID 18505916
ethane;N-ethyl-N-methyl-2-methylsulfanylacetamide
CID 142224349
2-(1-hydroxycyclohexyl)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide
CID 111537249
2-(4-hydroxyoxan-4-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 175786216
ethane;N-ethyl-N-methylbut-3-enamide
CID 142224309
bis(N-ethyl-N-methylpropanamide);pentan-3-one
CID 158092722
2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60839636
N-ethyl-N-methyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]acetamide
CID 106212509
2-(2-ethoxyethoxy)-N-ethyl-N-methylacetamide
CID 143737672
N-ethyl-N,3,3-trimethylbutanamide
CID 89107590
3,3-difluoro-1-(methoxymethyl)cyclobutan-1-ol;ethane
CID 143973779
N-ethyl-N-methyl-2-(methylamino)acetamide
CID 18683928

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoro-1-hydroxycyclobutyl)-N-ethyl-N-methylacetamide?
The IUPAC name of 2-(3,3-difluoro-1-hydroxycyclobutyl)-N-ethyl-N-methylacetamide (CID 175987889) is 2-(3,3-difluoro-1-hydroxycyclobutyl)-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-(3,3-difluoro-1-hydroxycyclobutyl)-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-(3,3-difluoro-1-hydroxycyclobutyl)-N-ethyl-N-methylacetamide is CCN(C)C(=O)CC1(O)CC(F)(F)C1.
What is the InChIKey of 2-(3,3-difluoro-1-hydroxycyclobutyl)-N-ethyl-N-methylacetamide?
The InChIKey is FADUHLJFUVVNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO2/c1-3-12(2)7(13)4-8(14)5-9(10,11)6-8/h14H,3-6H2,1-2H3.
What are the key properties of 2-(3,3-difluoro-1-hydroxycyclobutyl)-N-ethyl-N-methylacetamide?
2-(3,3-difluoro-1-hydroxycyclobutyl)-N-ethyl-N-methylacetamide has a molecular weight of 207.22 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoro-1-hydroxycyclobutyl)-N-ethyl-N-methylacetamide is sourced from PubChem (CID 175987889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).