3-methoxy-3-methyl-N-propan-2-yl-N-(4,4,4-trifluorobutyl)butan-1-amine

C13H26F3NO — CID 121474462

IUPAC3-methoxy-3-methyl-N-propan-2-yl-N-(4,4,4-trifluorobutyl)butan-1-amine
SMILESCOC(C)(C)CCN(CCCC(F)(F)F)C(C)C
InChIInChI=1S/C13H26F3NO/c1-11(2)17(9-6-7-13(14,15)16)10-8-12(3,4)18-5/h11H,6-10H2,1-5H3
InChIKeyFPHNHIQFRHIEPO-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.85
Rot. Bonds8

About 3-methoxy-3-methyl-N-propan-2-yl-N-(4,4,4-trifluorobutyl)butan-1-amine

3-methoxy-3-methyl-N-propan-2-yl-N-(4,4,4-trifluorobutyl)butan-1-amine (PubChem CID 121474462) has the molecular formula C13H26F3NO and a molecular weight of 269.35 g/mol. Its IUPAC name is 3-methoxy-3-methyl-N-propan-2-yl-N-(4,4,4-trifluorobutyl)butan-1-amine.

Molecular Properties

Compound Name3-methoxy-3-methyl-N-propan-2-yl-N-(4,4,4-trifluorobutyl)butan-1-amine
PubChem CID121474462
Molecular FormulaC13H26F3NO
Molecular Weight269.35 g/mol
Exact Mass269.20
IUPAC Name3-methoxy-3-methyl-N-propan-2-yl-N-(4,4,4-trifluorobutyl)butan-1-amine
SMILESCOC(C)(C)CCN(CCCC(F)(F)F)C(C)C
InChIInChI=1S/C13H26F3NO/c1-11(2)17(9-6-7-13(14,15)16)10-8-12(3,4)18-5/h11H,6-10H2,1-5H3
InChIKeyFPHNHIQFRHIEPO-UHFFFAOYSA-N
XLogP3.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-N-propan-2-yl-N-(4,4,4-trifluorobutyl)butan-1-amine?
The IUPAC name of 3-methoxy-3-methyl-N-propan-2-yl-N-(4,4,4-trifluorobutyl)butan-1-amine (CID 121474462) is 3-methoxy-3-methyl-N-propan-2-yl-N-(4,4,4-trifluorobutyl)butan-1-amine.
What is the SMILES notation for 3-methoxy-3-methyl-N-propan-2-yl-N-(4,4,4-trifluorobutyl)butan-1-amine?
The canonical SMILES for 3-methoxy-3-methyl-N-propan-2-yl-N-(4,4,4-trifluorobutyl)butan-1-amine is COC(C)(C)CCN(CCCC(F)(F)F)C(C)C.
What is the InChIKey of 3-methoxy-3-methyl-N-propan-2-yl-N-(4,4,4-trifluorobutyl)butan-1-amine?
The InChIKey is FPHNHIQFRHIEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F3NO/c1-11(2)17(9-6-7-13(14,15)16)10-8-12(3,4)18-5/h11H,6-10H2,1-5H3.
What are the key properties of 3-methoxy-3-methyl-N-propan-2-yl-N-(4,4,4-trifluorobutyl)butan-1-amine?
3-methoxy-3-methyl-N-propan-2-yl-N-(4,4,4-trifluorobutyl)butan-1-amine has a molecular weight of 269.35 g/mol, XLogP of 3.85, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-N-propan-2-yl-N-(4,4,4-trifluorobutyl)butan-1-amine is sourced from PubChem (CID 121474462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).