2-fluoro-3-methyl-2-propan-2-ylbut-3-en-1-amine

C8H16FN — CID 112567013

IUPAC2-fluoro-3-methyl-2-propan-2-ylbut-3-en-1-amine
SMILESC=C(C)C(F)(CN)C(C)C
InChIInChI=1S/C8H16FN/c1-6(2)8(9,5-10)7(3)4/h7H,1,5,10H2,2-4H3
InChIKeyZFEJISUJDKBERO-UHFFFAOYSA-N
MW145.22 g/mol
LogP1.89
Rot. Bonds3

About 2-fluoro-3-methyl-2-propan-2-ylbut-3-en-1-amine

2-fluoro-3-methyl-2-propan-2-ylbut-3-en-1-amine (PubChem CID 112567013) has the molecular formula C8H16FN and a molecular weight of 145.22 g/mol. Its IUPAC name is 2-fluoro-3-methyl-2-propan-2-ylbut-3-en-1-amine.

Molecular Properties

Compound Name2-fluoro-3-methyl-2-propan-2-ylbut-3-en-1-amine
PubChem CID112567013
Molecular FormulaC8H16FN
Molecular Weight145.22 g/mol
Exact Mass145.13
IUPAC Name2-fluoro-3-methyl-2-propan-2-ylbut-3-en-1-amine
SMILESC=C(C)C(F)(CN)C(C)C
InChIInChI=1S/C8H16FN/c1-6(2)8(9,5-10)7(3)4/h7H,1,5,10H2,2-4H3
InChIKeyZFEJISUJDKBERO-UHFFFAOYSA-N
XLogP1.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.22
LogP ≤ 51.89
H-Bond Donors ≤ 51
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 2-fluoro-3-methyl-2-propan-2-ylbut-3-en-1-amine?
The IUPAC name of 2-fluoro-3-methyl-2-propan-2-ylbut-3-en-1-amine (CID 112567013) is 2-fluoro-3-methyl-2-propan-2-ylbut-3-en-1-amine.
What is the SMILES notation for 2-fluoro-3-methyl-2-propan-2-ylbut-3-en-1-amine?
The canonical SMILES for 2-fluoro-3-methyl-2-propan-2-ylbut-3-en-1-amine is C=C(C)C(F)(CN)C(C)C.
What is the InChIKey of 2-fluoro-3-methyl-2-propan-2-ylbut-3-en-1-amine?
The InChIKey is ZFEJISUJDKBERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FN/c1-6(2)8(9,5-10)7(3)4/h7H,1,5,10H2,2-4H3.
What are the key properties of 2-fluoro-3-methyl-2-propan-2-ylbut-3-en-1-amine?
2-fluoro-3-methyl-2-propan-2-ylbut-3-en-1-amine has a molecular weight of 145.22 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-2-propan-2-ylbut-3-en-1-amine is sourced from PubChem (CID 112567013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).