N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)oxolan-3-amine

C11H20F3NO — CID 115976194

IUPACN-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)oxolan-3-amine
SMILESCC(C)(C)CC(NC1CCOC1)C(F)(F)F
InChIInChI=1S/C11H20F3NO/c1-10(2,3)6-9(11(12,13)14)15-8-4-5-16-7-8/h8-9,15H,4-7H2,1-3H3
InChIKeyMTKVLOXVLFFTSU-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.73
Rot. Bonds3

About N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)oxolan-3-amine

N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)oxolan-3-amine (PubChem CID 115976194) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)oxolan-3-amine.

Molecular Properties

Compound NameN-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)oxolan-3-amine
PubChem CID115976194
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC NameN-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)oxolan-3-amine
SMILESCC(C)(C)CC(NC1CCOC1)C(F)(F)F
InChIInChI=1S/C11H20F3NO/c1-10(2,3)6-9(11(12,13)14)15-8-4-5-16-7-8/h8-9,15H,4-7H2,1-3H3
InChIKeyMTKVLOXVLFFTSU-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)oxolan-3-amine?
The IUPAC name of N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)oxolan-3-amine (CID 115976194) is N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)oxolan-3-amine.
What is the SMILES notation for N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)oxolan-3-amine?
The canonical SMILES for N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)oxolan-3-amine is CC(C)(C)CC(NC1CCOC1)C(F)(F)F.
What is the InChIKey of N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)oxolan-3-amine?
The InChIKey is MTKVLOXVLFFTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-10(2,3)6-9(11(12,13)14)15-8-4-5-16-7-8/h8-9,15H,4-7H2,1-3H3.
What are the key properties of N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)oxolan-3-amine?
N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)oxolan-3-amine has a molecular weight of 239.28 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)oxolan-3-amine is sourced from PubChem (CID 115976194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).