4,4,4-trifluoro-N-(2-methylprop-2-enyl)-N-propan-2-ylbutan-1-amine

C11H20F3N — CID 121474445

IUPAC4,4,4-trifluoro-N-(2-methylprop-2-enyl)-N-propan-2-ylbutan-1-amine
SMILESC=C(C)CN(CCCC(F)(F)F)C(C)C
InChIInChI=1S/C11H20F3N/c1-9(2)8-15(10(3)4)7-5-6-11(12,13)14/h10H,1,5-8H2,2-4H3
InChIKeyBUKKAJYSZPYMLQ-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.62
Rot. Bonds6

About 4,4,4-trifluoro-N-(2-methylprop-2-enyl)-N-propan-2-ylbutan-1-amine

4,4,4-trifluoro-N-(2-methylprop-2-enyl)-N-propan-2-ylbutan-1-amine (PubChem CID 121474445) has the molecular formula C11H20F3N and a molecular weight of 223.28 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(2-methylprop-2-enyl)-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(2-methylprop-2-enyl)-N-propan-2-ylbutan-1-amine
PubChem CID121474445
Molecular FormulaC11H20F3N
Molecular Weight223.28 g/mol
Exact Mass223.15
IUPAC Name4,4,4-trifluoro-N-(2-methylprop-2-enyl)-N-propan-2-ylbutan-1-amine
SMILESC=C(C)CN(CCCC(F)(F)F)C(C)C
InChIInChI=1S/C11H20F3N/c1-9(2)8-15(10(3)4)7-5-6-11(12,13)14/h10H,1,5-8H2,2-4H3
InChIKeyBUKKAJYSZPYMLQ-UHFFFAOYSA-N
XLogP3.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-(2-methylprop-2-enyl)-N-propan-2-ylbutan-1-amine?
The IUPAC name of 4,4,4-trifluoro-N-(2-methylprop-2-enyl)-N-propan-2-ylbutan-1-amine (CID 121474445) is 4,4,4-trifluoro-N-(2-methylprop-2-enyl)-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-N-(2-methylprop-2-enyl)-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-N-(2-methylprop-2-enyl)-N-propan-2-ylbutan-1-amine is C=C(C)CN(CCCC(F)(F)F)C(C)C.
What is the InChIKey of 4,4,4-trifluoro-N-(2-methylprop-2-enyl)-N-propan-2-ylbutan-1-amine?
The InChIKey is BUKKAJYSZPYMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N/c1-9(2)8-15(10(3)4)7-5-6-11(12,13)14/h10H,1,5-8H2,2-4H3.
What are the key properties of 4,4,4-trifluoro-N-(2-methylprop-2-enyl)-N-propan-2-ylbutan-1-amine?
4,4,4-trifluoro-N-(2-methylprop-2-enyl)-N-propan-2-ylbutan-1-amine has a molecular weight of 223.28 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-(2-methylprop-2-enyl)-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 121474445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).