2-(2,2-difluoropropyl)pent-2-en-1-amine

C8H15F2N — CID 123499135

IUPAC2-(2,2-difluoropropyl)pent-2-en-1-amine
SMILESCCC=C(CN)CC(C)(F)F
InChIInChI=1S/C8H15F2N/c1-3-4-7(6-11)5-8(2,9)10/h4H,3,5-6,11H2,1-2H3
InChIKeyMJOCYBLBTWXKHL-UHFFFAOYSA-N
MW163.21 g/mol
LogP2.33
Rot. Bonds4

About 2-(2,2-difluoropropyl)pent-2-en-1-amine

2-(2,2-difluoropropyl)pent-2-en-1-amine (PubChem CID 123499135) has the molecular formula C8H15F2N and a molecular weight of 163.21 g/mol. Its IUPAC name is 2-(2,2-difluoropropyl)pent-2-en-1-amine.

Molecular Properties

Compound Name2-(2,2-difluoropropyl)pent-2-en-1-amine
PubChem CID123499135
Molecular FormulaC8H15F2N
Molecular Weight163.21 g/mol
Exact Mass163.12
IUPAC Name2-(2,2-difluoropropyl)pent-2-en-1-amine
SMILESCCC=C(CN)CC(C)(F)F
InChIInChI=1S/C8H15F2N/c1-3-4-7(6-11)5-8(2,9)10/h4H,3,5-6,11H2,1-2H3
InChIKeyMJOCYBLBTWXKHL-UHFFFAOYSA-N
XLogP2.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.21
LogP ≤ 52.33
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-(2,2-difluoropropyl)pent-2-en-1-amine?
The IUPAC name of 2-(2,2-difluoropropyl)pent-2-en-1-amine (CID 123499135) is 2-(2,2-difluoropropyl)pent-2-en-1-amine.
What is the SMILES notation for 2-(2,2-difluoropropyl)pent-2-en-1-amine?
The canonical SMILES for 2-(2,2-difluoropropyl)pent-2-en-1-amine is CCC=C(CN)CC(C)(F)F.
What is the InChIKey of 2-(2,2-difluoropropyl)pent-2-en-1-amine?
The InChIKey is MJOCYBLBTWXKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N/c1-3-4-7(6-11)5-8(2,9)10/h4H,3,5-6,11H2,1-2H3.
What are the key properties of 2-(2,2-difluoropropyl)pent-2-en-1-amine?
2-(2,2-difluoropropyl)pent-2-en-1-amine has a molecular weight of 163.21 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoropropyl)pent-2-en-1-amine is sourced from PubChem (CID 123499135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).