3,3-difluoro-N-propan-2-ylpent-4-en-1-amine

C8H15F2N — CID 176977021

IUPAC3,3-difluoro-N-propan-2-ylpent-4-en-1-amine
SMILESC=CC(F)(F)CCNC(C)C
InChIInChI=1S/C8H15F2N/c1-4-8(9,10)5-6-11-7(2)3/h4,7,11H,1,5-6H2,2-3H3
InChIKeyQHJPAIGVUROEKJ-UHFFFAOYSA-N
MW163.21 g/mol
LogP2.20
Rot. Bonds5

About 3,3-difluoro-N-propan-2-ylpent-4-en-1-amine

3,3-difluoro-N-propan-2-ylpent-4-en-1-amine (PubChem CID 176977021) has the molecular formula C8H15F2N and a molecular weight of 163.21 g/mol. Its IUPAC name is 3,3-difluoro-N-propan-2-ylpent-4-en-1-amine.

Molecular Properties

Compound Name3,3-difluoro-N-propan-2-ylpent-4-en-1-amine
PubChem CID176977021
Molecular FormulaC8H15F2N
Molecular Weight163.21 g/mol
Exact Mass163.12
IUPAC Name3,3-difluoro-N-propan-2-ylpent-4-en-1-amine
SMILESC=CC(F)(F)CCNC(C)C
InChIInChI=1S/C8H15F2N/c1-4-8(9,10)5-6-11-7(2)3/h4,7,11H,1,5-6H2,2-3H3
InChIKeyQHJPAIGVUROEKJ-UHFFFAOYSA-N
XLogP2.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.21
LogP ≤ 52.20
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 3,3-difluoro-N-propan-2-ylpent-4-en-1-amine?
The IUPAC name of 3,3-difluoro-N-propan-2-ylpent-4-en-1-amine (CID 176977021) is 3,3-difluoro-N-propan-2-ylpent-4-en-1-amine.
What is the SMILES notation for 3,3-difluoro-N-propan-2-ylpent-4-en-1-amine?
The canonical SMILES for 3,3-difluoro-N-propan-2-ylpent-4-en-1-amine is C=CC(F)(F)CCNC(C)C.
What is the InChIKey of 3,3-difluoro-N-propan-2-ylpent-4-en-1-amine?
The InChIKey is QHJPAIGVUROEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N/c1-4-8(9,10)5-6-11-7(2)3/h4,7,11H,1,5-6H2,2-3H3.
What are the key properties of 3,3-difluoro-N-propan-2-ylpent-4-en-1-amine?
3,3-difluoro-N-propan-2-ylpent-4-en-1-amine has a molecular weight of 163.21 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-propan-2-ylpent-4-en-1-amine is sourced from PubChem (CID 176977021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).