3-methyl-N-(4,4,4-trifluorobutan-2-yl)oxolan-3-amine

C9H16F3NO — CID 115922602

IUPAC3-methyl-N-(4,4,4-trifluorobutan-2-yl)oxolan-3-amine
SMILESCC(CC(F)(F)F)NC1(C)CCOC1
InChIInChI=1S/C9H16F3NO/c1-7(5-9(10,11)12)13-8(2)3-4-14-6-8/h7,13H,3-6H2,1-2H3
InChIKeyYPLYTAUIJPDJQD-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.10
Rot. Bonds3

About 3-methyl-N-(4,4,4-trifluorobutan-2-yl)oxolan-3-amine

3-methyl-N-(4,4,4-trifluorobutan-2-yl)oxolan-3-amine (PubChem CID 115922602) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 3-methyl-N-(4,4,4-trifluorobutan-2-yl)oxolan-3-amine.

Molecular Properties

Compound Name3-methyl-N-(4,4,4-trifluorobutan-2-yl)oxolan-3-amine
PubChem CID115922602
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name3-methyl-N-(4,4,4-trifluorobutan-2-yl)oxolan-3-amine
SMILESCC(CC(F)(F)F)NC1(C)CCOC1
InChIInChI=1S/C9H16F3NO/c1-7(5-9(10,11)12)13-8(2)3-4-14-6-8/h7,13H,3-6H2,1-2H3
InChIKeyYPLYTAUIJPDJQD-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 3-methyl-N-(4,4,4-trifluorobutan-2-yl)oxolan-3-amine?
The IUPAC name of 3-methyl-N-(4,4,4-trifluorobutan-2-yl)oxolan-3-amine (CID 115922602) is 3-methyl-N-(4,4,4-trifluorobutan-2-yl)oxolan-3-amine.
What is the SMILES notation for 3-methyl-N-(4,4,4-trifluorobutan-2-yl)oxolan-3-amine?
The canonical SMILES for 3-methyl-N-(4,4,4-trifluorobutan-2-yl)oxolan-3-amine is CC(CC(F)(F)F)NC1(C)CCOC1.
What is the InChIKey of 3-methyl-N-(4,4,4-trifluorobutan-2-yl)oxolan-3-amine?
The InChIKey is YPLYTAUIJPDJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-7(5-9(10,11)12)13-8(2)3-4-14-6-8/h7,13H,3-6H2,1-2H3.
What are the key properties of 3-methyl-N-(4,4,4-trifluorobutan-2-yl)oxolan-3-amine?
3-methyl-N-(4,4,4-trifluorobutan-2-yl)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 3-methyl-N-(4,4,4-trifluorobutan-2-yl)oxolan-3-amine is sourced from PubChem (CID 115922602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).