3,3,3-trifluoro-2-(2-methylpropoxy)propan-1-amine

C7H14F3NO — CID 43752918

IUPAC3,3,3-trifluoro-2-(2-methylpropoxy)propan-1-amine
SMILESCC(C)COC(CN)C(F)(F)F
InChIInChI=1S/C7H14F3NO/c1-5(2)4-12-6(3-11)7(8,9)10/h5-6H,3-4,11H2,1-2H3
InChIKeyQNUMDGQIXCGRDZ-UHFFFAOYSA-N
MW185.19 g/mol
LogP1.55
Rot. Bonds4

About 3,3,3-trifluoro-2-(2-methylpropoxy)propan-1-amine

3,3,3-trifluoro-2-(2-methylpropoxy)propan-1-amine (PubChem CID 43752918) has the molecular formula C7H14F3NO and a molecular weight of 185.19 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(2-methylpropoxy)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(2-methylpropoxy)propan-1-amine
PubChem CID43752918
Molecular FormulaC7H14F3NO
Molecular Weight185.19 g/mol
Exact Mass185.10
IUPAC Name3,3,3-trifluoro-2-(2-methylpropoxy)propan-1-amine
SMILESCC(C)COC(CN)C(F)(F)F
InChIInChI=1S/C7H14F3NO/c1-5(2)4-12-6(3-11)7(8,9)10/h5-6H,3-4,11H2,1-2H3
InChIKeyQNUMDGQIXCGRDZ-UHFFFAOYSA-N
XLogP1.55
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-(2-methylpropoxy)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-(2-methylpropoxy)propan-1-amine (CID 43752918) is 3,3,3-trifluoro-2-(2-methylpropoxy)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-(2-methylpropoxy)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-(2-methylpropoxy)propan-1-amine is CC(C)COC(CN)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-(2-methylpropoxy)propan-1-amine?
The InChIKey is QNUMDGQIXCGRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO/c1-5(2)4-12-6(3-11)7(8,9)10/h5-6H,3-4,11H2,1-2H3.
What are the key properties of 3,3,3-trifluoro-2-(2-methylpropoxy)propan-1-amine?
3,3,3-trifluoro-2-(2-methylpropoxy)propan-1-amine has a molecular weight of 185.19 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-(2-methylpropoxy)propan-1-amine is sourced from PubChem (CID 43752918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).