N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,3,3-trifluoropropanamide

C9H14F3NO3 — CID 103800506

IUPACN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,3,3-trifluoropropanamide
SMILESCC1(C)OCC(CNC(=O)CC(F)(F)F)O1
InChIInChI=1S/C9H14F3NO3/c1-8(2)15-5-6(16-8)4-13-7(14)3-9(10,11)12/h6H,3-5H2,1-2H3,(H,13,14)
InChIKeyUHIBPROUGCRNOH-UHFFFAOYSA-N
MW241.21 g/mol
LogP1.21
Rot. Bonds3

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

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,3,3-trifluoropropanamide (PubChem CID 103800506) has the molecular formula C9H14F3NO3 and a molecular weight of 241.21 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,3,3-trifluoropropanamide
PubChem CID103800506
Molecular FormulaC9H14F3NO3
Molecular Weight241.21 g/mol
Exact Mass241.09
IUPAC NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,3,3-trifluoropropanamide
SMILESCC1(C)OCC(CNC(=O)CC(F)(F)F)O1
InChIInChI=1S/C9H14F3NO3/c1-8(2)15-5-6(16-8)4-13-7(14)3-9(10,11)12/h6H,3-5H2,1-2H3,(H,13,14)
InChIKeyUHIBPROUGCRNOH-UHFFFAOYSA-N
XLogP1.21
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,3,3-trifluoropropanamide?
The IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,3,3-trifluoropropanamide (CID 103800506) is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,3,3-trifluoropropanamide?
The canonical SMILES for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,3,3-trifluoropropanamide is CC1(C)OCC(CNC(=O)CC(F)(F)F)O1.
What is the InChIKey of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,3,3-trifluoropropanamide?
The InChIKey is UHIBPROUGCRNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO3/c1-8(2)15-5-6(16-8)4-13-7(14)3-9(10,11)12/h6H,3-5H2,1-2H3,(H,13,14).
What are the key properties of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,3,3-trifluoropropanamide?
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,3,3-trifluoropropanamide has a molecular weight of 241.21 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,3,3-trifluoropropanamide is sourced from PubChem (CID 103800506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).