N-[(Z)-1,2-difluoroprop-1-enyl]propan-2-imine;ethane

C8H15F2N — CID 176707596

IUPACN-[(Z)-1,2-difluoroprop-1-enyl]propan-2-imine;ethane
SMILESCC.CC(C)=N/C(F)=C(\C)F
InChIInChI=1S/C6H9F2N.C2H6/c1-4(2)9-6(8)5(3)7;1-2/h1-3H3;1-2H3/b6-5+;
InChIKeyBKVNCPNDIMOMRU-IPZCTEOASA-N
MW163.21 g/mol
LogP3.62
Rot. Bonds1

About N-[(Z)-1,2-difluoroprop-1-enyl]propan-2-imine;ethane

N-[(Z)-1,2-difluoroprop-1-enyl]propan-2-imine;ethane (PubChem CID 176707596) has the molecular formula C8H15F2N and a molecular weight of 163.21 g/mol. Its IUPAC name is N-[(Z)-1,2-difluoroprop-1-enyl]propan-2-imine;ethane.

Molecular Properties

Compound NameN-[(Z)-1,2-difluoroprop-1-enyl]propan-2-imine;ethane
PubChem CID176707596
Molecular FormulaC8H15F2N
Molecular Weight163.21 g/mol
Exact Mass163.12
IUPAC NameN-[(Z)-1,2-difluoroprop-1-enyl]propan-2-imine;ethane
SMILESCC.CC(C)=N/C(F)=C(\C)F
InChIInChI=1S/C6H9F2N.C2H6/c1-4(2)9-6(8)5(3)7;1-2/h1-3H3;1-2H3/b6-5+;
InChIKeyBKVNCPNDIMOMRU-IPZCTEOASA-N
XLogP3.62
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.21
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1,2-difluoroprop-1-enyl]propan-2-imine;ethane?
The IUPAC name of N-[(Z)-1,2-difluoroprop-1-enyl]propan-2-imine;ethane (CID 176707596) is N-[(Z)-1,2-difluoroprop-1-enyl]propan-2-imine;ethane.
What is the SMILES notation for N-[(Z)-1,2-difluoroprop-1-enyl]propan-2-imine;ethane?
The canonical SMILES for N-[(Z)-1,2-difluoroprop-1-enyl]propan-2-imine;ethane is CC.CC(C)=N/C(F)=C(\C)F.
What is the InChIKey of N-[(Z)-1,2-difluoroprop-1-enyl]propan-2-imine;ethane?
The InChIKey is BKVNCPNDIMOMRU-IPZCTEOASA-N. The full InChI is InChI=1S/C6H9F2N.C2H6/c1-4(2)9-6(8)5(3)7;1-2/h1-3H3;1-2H3/b6-5+;.
What are the key properties of N-[(Z)-1,2-difluoroprop-1-enyl]propan-2-imine;ethane?
N-[(Z)-1,2-difluoroprop-1-enyl]propan-2-imine;ethane has a molecular weight of 163.21 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1,2-difluoroprop-1-enyl]propan-2-imine;ethane is sourced from PubChem (CID 176707596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).