2-methyl-4-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)butan-1-amine

C11H20F3NO — CID 114899404

IUPAC2-methyl-4-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)butan-1-amine
SMILESCC(CCC1CCCO1)CNCC(F)(F)F
InChIInChI=1S/C11H20F3NO/c1-9(7-15-8-11(12,13)14)4-5-10-3-2-6-16-10/h9-10,15H,2-8H2,1H3
InChIKeyWLYSRXNFPLFEDE-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.73
Rot. Bonds6

About 2-methyl-4-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)butan-1-amine

2-methyl-4-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)butan-1-amine (PubChem CID 114899404) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-methyl-4-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)butan-1-amine.

Molecular Properties

Compound Name2-methyl-4-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)butan-1-amine
PubChem CID114899404
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name2-methyl-4-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)butan-1-amine
SMILESCC(CCC1CCCO1)CNCC(F)(F)F
InChIInChI=1S/C11H20F3NO/c1-9(7-15-8-11(12,13)14)4-5-10-3-2-6-16-10/h9-10,15H,2-8H2,1H3
InChIKeyWLYSRXNFPLFEDE-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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 2-methyl-4-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)butan-1-amine?
The IUPAC name of 2-methyl-4-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)butan-1-amine (CID 114899404) is 2-methyl-4-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)butan-1-amine.
What is the SMILES notation for 2-methyl-4-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)butan-1-amine?
The canonical SMILES for 2-methyl-4-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)butan-1-amine is CC(CCC1CCCO1)CNCC(F)(F)F.
What is the InChIKey of 2-methyl-4-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)butan-1-amine?
The InChIKey is WLYSRXNFPLFEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-9(7-15-8-11(12,13)14)4-5-10-3-2-6-16-10/h9-10,15H,2-8H2,1H3.
What are the key properties of 2-methyl-4-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)butan-1-amine?
2-methyl-4-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)butan-1-amine has a molecular weight of 239.28 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)butan-1-amine is sourced from PubChem (CID 114899404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).