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

C12H22F3NO — CID 81343295

IUPAC2,2,5,5-tetramethyl-N-(4,4,4-trifluorobutyl)oxolan-3-amine
SMILESCC1(C)CC(NCCCC(F)(F)F)C(C)(C)O1
InChIInChI=1S/C12H22F3NO/c1-10(2)8-9(11(3,4)17-10)16-7-5-6-12(13,14)15/h9,16H,5-8H2,1-4H3
InChIKeyUYRQSHODJOIWIT-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.26
Rot. Bonds4

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

2,2,5,5-tetramethyl-N-(4,4,4-trifluorobutyl)oxolan-3-amine (PubChem CID 81343295) 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-trifluorobutyl)oxolan-3-amine.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-N-(4,4,4-trifluorobutyl)oxolan-3-amine
PubChem CID81343295
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name2,2,5,5-tetramethyl-N-(4,4,4-trifluorobutyl)oxolan-3-amine
SMILESCC1(C)CC(NCCCC(F)(F)F)C(C)(C)O1
InChIInChI=1S/C12H22F3NO/c1-10(2)8-9(11(3,4)17-10)16-7-5-6-12(13,14)15/h9,16H,5-8H2,1-4H3
InChIKeyUYRQSHODJOIWIT-UHFFFAOYSA-N
XLogP3.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-N-(4,4,4-trifluorobutyl)oxolan-3-amine?
The IUPAC name of 2,2,5,5-tetramethyl-N-(4,4,4-trifluorobutyl)oxolan-3-amine (CID 81343295) is 2,2,5,5-tetramethyl-N-(4,4,4-trifluorobutyl)oxolan-3-amine.
What is the SMILES notation for 2,2,5,5-tetramethyl-N-(4,4,4-trifluorobutyl)oxolan-3-amine?
The canonical SMILES for 2,2,5,5-tetramethyl-N-(4,4,4-trifluorobutyl)oxolan-3-amine is CC1(C)CC(NCCCC(F)(F)F)C(C)(C)O1.
What is the InChIKey of 2,2,5,5-tetramethyl-N-(4,4,4-trifluorobutyl)oxolan-3-amine?
The InChIKey is UYRQSHODJOIWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-10(2)8-9(11(3,4)17-10)16-7-5-6-12(13,14)15/h9,16H,5-8H2,1-4H3.
What are the key properties of 2,2,5,5-tetramethyl-N-(4,4,4-trifluorobutyl)oxolan-3-amine?
2,2,5,5-tetramethyl-N-(4,4,4-trifluorobutyl)oxolan-3-amine has a molecular weight of 253.31 g/mol, XLogP of 3.26, 4 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-trifluorobutyl)oxolan-3-amine is sourced from PubChem (CID 81343295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).