3-methyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine

C8H13F4NO — CID 103474867

IUPAC3-methyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine
SMILESC=C(C)C(N)COCC(F)(F)C(F)F
InChIInChI=1S/C8H13F4NO/c1-5(2)6(13)3-14-4-8(11,12)7(9)10/h6-7H,1,3-4,13H2,2H3
InChIKeyIJKQQWJBRIBRRC-UHFFFAOYSA-N
MW215.19 g/mol
LogP1.81
Rot. Bonds6

About 3-methyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine

3-methyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine (PubChem CID 103474867) has the molecular formula C8H13F4NO and a molecular weight of 215.19 g/mol. Its IUPAC name is 3-methyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine.

Molecular Properties

Compound Name3-methyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine
PubChem CID103474867
Molecular FormulaC8H13F4NO
Molecular Weight215.19 g/mol
Exact Mass215.09
IUPAC Name3-methyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine
SMILESC=C(C)C(N)COCC(F)(F)C(F)F
InChIInChI=1S/C8H13F4NO/c1-5(2)6(13)3-14-4-8(11,12)7(9)10/h6-7H,1,3-4,13H2,2H3
InChIKeyIJKQQWJBRIBRRC-UHFFFAOYSA-N
XLogP1.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.19
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine?
The IUPAC name of 3-methyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine (CID 103474867) is 3-methyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine.
What is the SMILES notation for 3-methyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine?
The canonical SMILES for 3-methyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine is C=C(C)C(N)COCC(F)(F)C(F)F.
What is the InChIKey of 3-methyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine?
The InChIKey is IJKQQWJBRIBRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F4NO/c1-5(2)6(13)3-14-4-8(11,12)7(9)10/h6-7H,1,3-4,13H2,2H3.
What are the key properties of 3-methyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine?
3-methyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine has a molecular weight of 215.19 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine is sourced from PubChem (CID 103474867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).