1,2-difluoro-N-propylbut-3-en-1-amine

C7H13F2N — CID 135274995

IUPAC1,2-difluoro-N-propylbut-3-en-1-amine
SMILESC=CC(F)C(F)NCCC
InChIInChI=1S/C7H13F2N/c1-3-5-10-7(9)6(8)4-2/h4,6-7,10H,2-3,5H2,1H3
InChIKeyZHYCTLYISGLUIK-UHFFFAOYSA-N
MW149.18 g/mol
LogP1.81
Rot. Bonds5

About 1,2-difluoro-N-propylbut-3-en-1-amine

1,2-difluoro-N-propylbut-3-en-1-amine (PubChem CID 135274995) has the molecular formula C7H13F2N and a molecular weight of 149.18 g/mol. Its IUPAC name is 1,2-difluoro-N-propylbut-3-en-1-amine.

Molecular Properties

Compound Name1,2-difluoro-N-propylbut-3-en-1-amine
PubChem CID135274995
Molecular FormulaC7H13F2N
Molecular Weight149.18 g/mol
Exact Mass149.10
IUPAC Name1,2-difluoro-N-propylbut-3-en-1-amine
SMILESC=CC(F)C(F)NCCC
InChIInChI=1S/C7H13F2N/c1-3-5-10-7(9)6(8)4-2/h4,6-7,10H,2-3,5H2,1H3
InChIKeyZHYCTLYISGLUIK-UHFFFAOYSA-N
XLogP1.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.18
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-N-propylbut-3-en-1-amine?
The IUPAC name of 1,2-difluoro-N-propylbut-3-en-1-amine (CID 135274995) is 1,2-difluoro-N-propylbut-3-en-1-amine.
What is the SMILES notation for 1,2-difluoro-N-propylbut-3-en-1-amine?
The canonical SMILES for 1,2-difluoro-N-propylbut-3-en-1-amine is C=CC(F)C(F)NCCC.
What is the InChIKey of 1,2-difluoro-N-propylbut-3-en-1-amine?
The InChIKey is ZHYCTLYISGLUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2N/c1-3-5-10-7(9)6(8)4-2/h4,6-7,10H,2-3,5H2,1H3.
What are the key properties of 1,2-difluoro-N-propylbut-3-en-1-amine?
1,2-difluoro-N-propylbut-3-en-1-amine has a molecular weight of 149.18 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-N-propylbut-3-en-1-amine is sourced from PubChem (CID 135274995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).