3,3,3-trifluoro-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(trifluoromethyl)propan-1-amine

C13H21F6NO — CID 103312355

IUPAC3,3,3-trifluoro-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(trifluoromethyl)propan-1-amine
SMILESCNC(C(C(F)(F)F)C(F)(F)F)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C13H21F6NO/c1-10(2)6-7(11(3,4)21-10)8(20-5)9(12(14,15)16)13(17,18)19/h7-9,20H,6H2,1-5H3
InChIKeyRPINJKZJYHKWMJ-UHFFFAOYSA-N
MW321.31 g/mol
LogP3.91
Rot. Bonds3

About 3,3,3-trifluoro-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(trifluoromethyl)propan-1-amine

3,3,3-trifluoro-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(trifluoromethyl)propan-1-amine (PubChem CID 103312355) has the molecular formula C13H21F6NO and a molecular weight of 321.31 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(trifluoromethyl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(trifluoromethyl)propan-1-amine
PubChem CID103312355
Molecular FormulaC13H21F6NO
Molecular Weight321.31 g/mol
Exact Mass321.15
IUPAC Name3,3,3-trifluoro-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(trifluoromethyl)propan-1-amine
SMILESCNC(C(C(F)(F)F)C(F)(F)F)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C13H21F6NO/c1-10(2)6-7(11(3,4)21-10)8(20-5)9(12(14,15)16)13(17,18)19/h7-9,20H,6H2,1-5H3
InChIKeyRPINJKZJYHKWMJ-UHFFFAOYSA-N
XLogP3.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(trifluoromethyl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(trifluoromethyl)propan-1-amine (CID 103312355) is 3,3,3-trifluoro-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(trifluoromethyl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(trifluoromethyl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(trifluoromethyl)propan-1-amine is CNC(C(C(F)(F)F)C(F)(F)F)C1CC(C)(C)OC1(C)C.
What is the InChIKey of 3,3,3-trifluoro-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(trifluoromethyl)propan-1-amine?
The InChIKey is RPINJKZJYHKWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F6NO/c1-10(2)6-7(11(3,4)21-10)8(20-5)9(12(14,15)16)13(17,18)19/h7-9,20H,6H2,1-5H3.
What are the key properties of 3,3,3-trifluoro-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(trifluoromethyl)propan-1-amine?
3,3,3-trifluoro-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(trifluoromethyl)propan-1-amine has a molecular weight of 321.31 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(trifluoromethyl)propan-1-amine is sourced from PubChem (CID 103312355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).