3,3-dimethyl-N-propyl-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine

C12H24F3NO — CID 66274790

IUPAC3,3-dimethyl-N-propyl-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine
SMILESCCCNC(COC(C)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C12H24F3NO/c1-6-7-16-10(11(3,4)5)8-17-9(2)12(13,14)15/h9-10,16H,6-8H2,1-5H3
InChIKeyKNAZHNIRLUXLHN-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.37
Rot. Bonds6

About 3,3-dimethyl-N-propyl-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine

3,3-dimethyl-N-propyl-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine (PubChem CID 66274790) has the molecular formula C12H24F3NO and a molecular weight of 255.32 g/mol. Its IUPAC name is 3,3-dimethyl-N-propyl-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-propyl-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine
PubChem CID66274790
Molecular FormulaC12H24F3NO
Molecular Weight255.32 g/mol
Exact Mass255.18
IUPAC Name3,3-dimethyl-N-propyl-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine
SMILESCCCNC(COC(C)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C12H24F3NO/c1-6-7-16-10(11(3,4)5)8-17-9(2)12(13,14)15/h9-10,16H,6-8H2,1-5H3
InChIKeyKNAZHNIRLUXLHN-UHFFFAOYSA-N
XLogP3.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-propyl-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine?
The IUPAC name of 3,3-dimethyl-N-propyl-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine (CID 66274790) is 3,3-dimethyl-N-propyl-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine.
What is the SMILES notation for 3,3-dimethyl-N-propyl-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine?
The canonical SMILES for 3,3-dimethyl-N-propyl-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine is CCCNC(COC(C)C(F)(F)F)C(C)(C)C.
What is the InChIKey of 3,3-dimethyl-N-propyl-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine?
The InChIKey is KNAZHNIRLUXLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3NO/c1-6-7-16-10(11(3,4)5)8-17-9(2)12(13,14)15/h9-10,16H,6-8H2,1-5H3.
What are the key properties of 3,3-dimethyl-N-propyl-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine?
3,3-dimethyl-N-propyl-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine has a molecular weight of 255.32 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-propyl-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine is sourced from PubChem (CID 66274790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).