N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,2,2-trifluoro-N-(2-oxopropyl)acetamide

C11H16F3NO4 — CID 175095452

IUPACN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,2,2-trifluoro-N-(2-oxopropyl)acetamide
SMILESCC(=O)CN(CC1COC(C)(C)O1)C(=O)C(F)(F)F
InChIInChI=1S/C11H16F3NO4/c1-7(16)4-15(9(17)11(12,13)14)5-8-6-18-10(2,3)19-8/h8H,4-6H2,1-3H3
InChIKeyZIKUHDFULZRQSS-UHFFFAOYSA-N
MW283.25 g/mol
LogP1.12
Rot. Bonds4

About N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,2,2-trifluoro-N-(2-oxopropyl)acetamide

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,2,2-trifluoro-N-(2-oxopropyl)acetamide (PubChem CID 175095452) has the molecular formula C11H16F3NO4 and a molecular weight of 283.25 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,2,2-trifluoro-N-(2-oxopropyl)acetamide.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,2,2-trifluoro-N-(2-oxopropyl)acetamide
PubChem CID175095452
Molecular FormulaC11H16F3NO4
Molecular Weight283.25 g/mol
Exact Mass283.10
IUPAC NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,2,2-trifluoro-N-(2-oxopropyl)acetamide
SMILESCC(=O)CN(CC1COC(C)(C)O1)C(=O)C(F)(F)F
InChIInChI=1S/C11H16F3NO4/c1-7(16)4-15(9(17)11(12,13)14)5-8-6-18-10(2,3)19-8/h8H,4-6H2,1-3H3
InChIKeyZIKUHDFULZRQSS-UHFFFAOYSA-N
XLogP1.12
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,2-dimethyl-1,3-dioxolan-4-yl)methyl trifluoromethanesulfonate;trifluoromethylsulfonyl trifluoromethanesulfonate
CID 157243709
2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl trifluoromethanesulfonate
CID 59158516
2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]acetic acid
CID 14141015
N-benzyl-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,3-dimethylbutanamide
CID 70506294
[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxymethanethioic S-acid
CID 145333613
4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,2-dimethyl-1,3-dioxolane
CID 58862633
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,2,3,3-tetrafluoropropanamide
CID 113264633
dimethyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]propanedioate
CID 75090382
3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,1-dimethylurea
CID 103800989
(2,2,5,5-tetramethylpyrrolidin-3-yl) N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N-methylcarbamate
CID 70379961
(2R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoropentan-3-one
CID 135010323
ethyl 3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxopropanoate
CID 129410617

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,2,2-trifluoro-N-(2-oxopropyl)acetamide?
The IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,2,2-trifluoro-N-(2-oxopropyl)acetamide (CID 175095452) is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,2,2-trifluoro-N-(2-oxopropyl)acetamide.
What is the SMILES notation for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,2,2-trifluoro-N-(2-oxopropyl)acetamide?
The canonical SMILES for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,2,2-trifluoro-N-(2-oxopropyl)acetamide is CC(=O)CN(CC1COC(C)(C)O1)C(=O)C(F)(F)F.
What is the InChIKey of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,2,2-trifluoro-N-(2-oxopropyl)acetamide?
The InChIKey is ZIKUHDFULZRQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO4/c1-7(16)4-15(9(17)11(12,13)14)5-8-6-18-10(2,3)19-8/h8H,4-6H2,1-3H3.
What are the key properties of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,2,2-trifluoro-N-(2-oxopropyl)acetamide?
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,2,2-trifluoro-N-(2-oxopropyl)acetamide has a molecular weight of 283.25 g/mol, XLogP of 1.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,2,2-trifluoro-N-(2-oxopropyl)acetamide is sourced from PubChem (CID 175095452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).