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

C10H16F3NO3 — CID 103800439

IUPACN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4,4,4-trifluorobutanamide
SMILESCC1(C)OCC(CNC(=O)CCC(F)(F)F)O1
InChIInChI=1S/C10H16F3NO3/c1-9(2)16-6-7(17-9)5-14-8(15)3-4-10(11,12)13/h7H,3-6H2,1-2H3,(H,14,15)
InChIKeyIQGVHWUWZIVLQQ-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.60
Rot. Bonds4

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

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4,4,4-trifluorobutanamide (PubChem CID 103800439) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4,4,4-trifluorobutanamide.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4,4,4-trifluorobutanamide
PubChem CID103800439
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4,4,4-trifluorobutanamide
SMILESCC1(C)OCC(CNC(=O)CCC(F)(F)F)O1
InChIInChI=1S/C10H16F3NO3/c1-9(2)16-6-7(17-9)5-14-8(15)3-4-10(11,12)13/h7H,3-6H2,1-2H3,(H,14,15)
InChIKeyIQGVHWUWZIVLQQ-UHFFFAOYSA-N
XLogP1.60
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.60
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]-4,4,4-trifluorobutanamide?
The IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4,4,4-trifluorobutanamide (CID 103800439) is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4,4,4-trifluorobutanamide.
What is the SMILES notation for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4,4,4-trifluorobutanamide?
The canonical SMILES for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4,4,4-trifluorobutanamide is CC1(C)OCC(CNC(=O)CCC(F)(F)F)O1.
What is the InChIKey of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4,4,4-trifluorobutanamide?
The InChIKey is IQGVHWUWZIVLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c1-9(2)16-6-7(17-9)5-14-8(15)3-4-10(11,12)13/h7H,3-6H2,1-2H3,(H,14,15).
What are the key properties of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4,4,4-trifluorobutanamide?
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4,4,4-trifluorobutanamide has a molecular weight of 255.24 g/mol, XLogP of 1.60, 4 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]-4,4,4-trifluorobutanamide is sourced from PubChem (CID 103800439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).