N-[(5,5-dimethyloxolan-2-yl)methyl]-4,4,4-trifluorobutan-2-amine

C11H20F3NO — CID 104956075

IUPACN-[(5,5-dimethyloxolan-2-yl)methyl]-4,4,4-trifluorobutan-2-amine
SMILESCC(CC(F)(F)F)NCC1CCC(C)(C)O1
InChIInChI=1S/C11H20F3NO/c1-8(6-11(12,13)14)15-7-9-4-5-10(2,3)16-9/h8-9,15H,4-7H2,1-3H3
InChIKeyKULBMQOLXCWSMQ-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.87
Rot. Bonds4

About N-[(5,5-dimethyloxolan-2-yl)methyl]-4,4,4-trifluorobutan-2-amine

N-[(5,5-dimethyloxolan-2-yl)methyl]-4,4,4-trifluorobutan-2-amine (PubChem CID 104956075) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is N-[(5,5-dimethyloxolan-2-yl)methyl]-4,4,4-trifluorobutan-2-amine.

Molecular Properties

Compound NameN-[(5,5-dimethyloxolan-2-yl)methyl]-4,4,4-trifluorobutan-2-amine
PubChem CID104956075
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC NameN-[(5,5-dimethyloxolan-2-yl)methyl]-4,4,4-trifluorobutan-2-amine
SMILESCC(CC(F)(F)F)NCC1CCC(C)(C)O1
InChIInChI=1S/C11H20F3NO/c1-8(6-11(12,13)14)15-7-9-4-5-10(2,3)16-9/h8-9,15H,4-7H2,1-3H3
InChIKeyKULBMQOLXCWSMQ-UHFFFAOYSA-N
XLogP2.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5,5-dimethyloxolan-2-yl)methyl]-4,4,4-trifluorobutan-2-amine?
The IUPAC name of N-[(5,5-dimethyloxolan-2-yl)methyl]-4,4,4-trifluorobutan-2-amine (CID 104956075) is N-[(5,5-dimethyloxolan-2-yl)methyl]-4,4,4-trifluorobutan-2-amine.
What is the SMILES notation for N-[(5,5-dimethyloxolan-2-yl)methyl]-4,4,4-trifluorobutan-2-amine?
The canonical SMILES for N-[(5,5-dimethyloxolan-2-yl)methyl]-4,4,4-trifluorobutan-2-amine is CC(CC(F)(F)F)NCC1CCC(C)(C)O1.
What is the InChIKey of N-[(5,5-dimethyloxolan-2-yl)methyl]-4,4,4-trifluorobutan-2-amine?
The InChIKey is KULBMQOLXCWSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-8(6-11(12,13)14)15-7-9-4-5-10(2,3)16-9/h8-9,15H,4-7H2,1-3H3.
What are the key properties of N-[(5,5-dimethyloxolan-2-yl)methyl]-4,4,4-trifluorobutan-2-amine?
N-[(5,5-dimethyloxolan-2-yl)methyl]-4,4,4-trifluorobutan-2-amine has a molecular weight of 239.28 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,5-dimethyloxolan-2-yl)methyl]-4,4,4-trifluorobutan-2-amine is sourced from PubChem (CID 104956075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).