2,2-difluoro-N-methyl-N-propan-2-ylbut-3-en-1-amine

C8H15F2N — CID 169145618

IUPAC2,2-difluoro-N-methyl-N-propan-2-ylbut-3-en-1-amine
SMILESC=CC(F)(F)CN(C)C(C)C
InChIInChI=1S/C8H15F2N/c1-5-8(9,10)6-11(4)7(2)3/h5,7H,1,6H2,2-4H3
InChIKeyDANNPMMLORDYOY-UHFFFAOYSA-N
MW163.21 g/mol
LogP2.15
Rot. Bonds4

About 2,2-difluoro-N-methyl-N-propan-2-ylbut-3-en-1-amine

2,2-difluoro-N-methyl-N-propan-2-ylbut-3-en-1-amine (PubChem CID 169145618) has the molecular formula C8H15F2N and a molecular weight of 163.21 g/mol. Its IUPAC name is 2,2-difluoro-N-methyl-N-propan-2-ylbut-3-en-1-amine.

Molecular Properties

Compound Name2,2-difluoro-N-methyl-N-propan-2-ylbut-3-en-1-amine
PubChem CID169145618
Molecular FormulaC8H15F2N
Molecular Weight163.21 g/mol
Exact Mass163.12
IUPAC Name2,2-difluoro-N-methyl-N-propan-2-ylbut-3-en-1-amine
SMILESC=CC(F)(F)CN(C)C(C)C
InChIInChI=1S/C8H15F2N/c1-5-8(9,10)6-11(4)7(2)3/h5,7H,1,6H2,2-4H3
InChIKeyDANNPMMLORDYOY-UHFFFAOYSA-N
XLogP2.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.21
LogP ≤ 52.15
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 2,2-difluoro-N-methyl-N-propan-2-ylbut-3-en-1-amine?
The IUPAC name of 2,2-difluoro-N-methyl-N-propan-2-ylbut-3-en-1-amine (CID 169145618) is 2,2-difluoro-N-methyl-N-propan-2-ylbut-3-en-1-amine.
What is the SMILES notation for 2,2-difluoro-N-methyl-N-propan-2-ylbut-3-en-1-amine?
The canonical SMILES for 2,2-difluoro-N-methyl-N-propan-2-ylbut-3-en-1-amine is C=CC(F)(F)CN(C)C(C)C.
What is the InChIKey of 2,2-difluoro-N-methyl-N-propan-2-ylbut-3-en-1-amine?
The InChIKey is DANNPMMLORDYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N/c1-5-8(9,10)6-11(4)7(2)3/h5,7H,1,6H2,2-4H3.
What are the key properties of 2,2-difluoro-N-methyl-N-propan-2-ylbut-3-en-1-amine?
2,2-difluoro-N-methyl-N-propan-2-ylbut-3-en-1-amine has a molecular weight of 163.21 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-methyl-N-propan-2-ylbut-3-en-1-amine is sourced from PubChem (CID 169145618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).