2-methyl-N-propyl-3-(trifluoromethyl)oxolan-3-amine

C9H16F3NO — CID 82718036

IUPAC2-methyl-N-propyl-3-(trifluoromethyl)oxolan-3-amine
SMILESCCCNC1(C(F)(F)F)CCOC1C
InChIInChI=1S/C9H16F3NO/c1-3-5-13-8(9(10,11)12)4-6-14-7(8)2/h7,13H,3-6H2,1-2H3
InChIKeyFVSUOKVXYSXOJI-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.10
Rot. Bonds3

About 2-methyl-N-propyl-3-(trifluoromethyl)oxolan-3-amine

2-methyl-N-propyl-3-(trifluoromethyl)oxolan-3-amine (PubChem CID 82718036) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 2-methyl-N-propyl-3-(trifluoromethyl)oxolan-3-amine.

Molecular Properties

Compound Name2-methyl-N-propyl-3-(trifluoromethyl)oxolan-3-amine
PubChem CID82718036
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name2-methyl-N-propyl-3-(trifluoromethyl)oxolan-3-amine
SMILESCCCNC1(C(F)(F)F)CCOC1C
InChIInChI=1S/C9H16F3NO/c1-3-5-13-8(9(10,11)12)4-6-14-7(8)2/h7,13H,3-6H2,1-2H3
InChIKeyFVSUOKVXYSXOJI-UHFFFAOYSA-N
XLogP2.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propyl-3-(trifluoromethyl)oxolan-3-amine?
The IUPAC name of 2-methyl-N-propyl-3-(trifluoromethyl)oxolan-3-amine (CID 82718036) is 2-methyl-N-propyl-3-(trifluoromethyl)oxolan-3-amine.
What is the SMILES notation for 2-methyl-N-propyl-3-(trifluoromethyl)oxolan-3-amine?
The canonical SMILES for 2-methyl-N-propyl-3-(trifluoromethyl)oxolan-3-amine is CCCNC1(C(F)(F)F)CCOC1C.
What is the InChIKey of 2-methyl-N-propyl-3-(trifluoromethyl)oxolan-3-amine?
The InChIKey is FVSUOKVXYSXOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-3-5-13-8(9(10,11)12)4-6-14-7(8)2/h7,13H,3-6H2,1-2H3.
What are the key properties of 2-methyl-N-propyl-3-(trifluoromethyl)oxolan-3-amine?
2-methyl-N-propyl-3-(trifluoromethyl)oxolan-3-amine has a molecular weight of 211.23 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propyl-3-(trifluoromethyl)oxolan-3-amine is sourced from PubChem (CID 82718036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).