2,2,5,5-tetramethyl-N-(4,4,4-trifluorobutan-2-yl)oxolan-3-amine

C12H22F3NO — CID 103949773

IUPAC2,2,5,5-tetramethyl-N-(4,4,4-trifluorobutan-2-yl)oxolan-3-amine
SMILESCC(CC(F)(F)F)NC1CC(C)(C)OC1(C)C
InChIInChI=1S/C12H22F3NO/c1-8(6-12(13,14)15)16-9-7-10(2,3)17-11(9,4)5/h8-9,16H,6-7H2,1-5H3
InChIKeyHLVKIYUODPEDNB-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.26
Rot. Bonds3

About 2,2,5,5-tetramethyl-N-(4,4,4-trifluorobutan-2-yl)oxolan-3-amine

2,2,5,5-tetramethyl-N-(4,4,4-trifluorobutan-2-yl)oxolan-3-amine (PubChem CID 103949773) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-N-(4,4,4-trifluorobutan-2-yl)oxolan-3-amine.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-N-(4,4,4-trifluorobutan-2-yl)oxolan-3-amine
PubChem CID103949773
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name2,2,5,5-tetramethyl-N-(4,4,4-trifluorobutan-2-yl)oxolan-3-amine
SMILESCC(CC(F)(F)F)NC1CC(C)(C)OC1(C)C
InChIInChI=1S/C12H22F3NO/c1-8(6-12(13,14)15)16-9-7-10(2,3)17-11(9,4)5/h8-9,16H,6-7H2,1-5H3
InChIKeyHLVKIYUODPEDNB-UHFFFAOYSA-N
XLogP3.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-N-(4,4,4-trifluorobutan-2-yl)oxolan-3-amine?
The IUPAC name of 2,2,5,5-tetramethyl-N-(4,4,4-trifluorobutan-2-yl)oxolan-3-amine (CID 103949773) is 2,2,5,5-tetramethyl-N-(4,4,4-trifluorobutan-2-yl)oxolan-3-amine.
What is the SMILES notation for 2,2,5,5-tetramethyl-N-(4,4,4-trifluorobutan-2-yl)oxolan-3-amine?
The canonical SMILES for 2,2,5,5-tetramethyl-N-(4,4,4-trifluorobutan-2-yl)oxolan-3-amine is CC(CC(F)(F)F)NC1CC(C)(C)OC1(C)C.
What is the InChIKey of 2,2,5,5-tetramethyl-N-(4,4,4-trifluorobutan-2-yl)oxolan-3-amine?
The InChIKey is HLVKIYUODPEDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-8(6-12(13,14)15)16-9-7-10(2,3)17-11(9,4)5/h8-9,16H,6-7H2,1-5H3.
What are the key properties of 2,2,5,5-tetramethyl-N-(4,4,4-trifluorobutan-2-yl)oxolan-3-amine?
2,2,5,5-tetramethyl-N-(4,4,4-trifluorobutan-2-yl)oxolan-3-amine has a molecular weight of 253.31 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-N-(4,4,4-trifluorobutan-2-yl)oxolan-3-amine is sourced from PubChem (CID 103949773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).