(E)-2-(1,1-difluoroethyl)but-2-en-1-imine;ethane

C8H15F2N — CID 171493318

IUPAC(E)-2-(1,1-difluoroethyl)but-2-en-1-imine;ethane
SMILESCC.[H]/N=C/C(=C\C)C(C)(F)F
InChIInChI=1S/C6H9F2N.C2H6/c1-3-5(4-9)6(2,7)8;1-2/h3-4,9H,1-2H3;1-2H3/b5-3+,9-4+;
InChIKeyVLUZLWUWTKVAKC-PVFOATAVSA-N
MW163.21 g/mol
LogP3.26
Rot. Bonds2

About (E)-2-(1,1-difluoroethyl)but-2-en-1-imine;ethane

(E)-2-(1,1-difluoroethyl)but-2-en-1-imine;ethane (PubChem CID 171493318) has the molecular formula C8H15F2N and a molecular weight of 163.21 g/mol. Its IUPAC name is (E)-2-(1,1-difluoroethyl)but-2-en-1-imine;ethane.

Molecular Properties

Compound Name(E)-2-(1,1-difluoroethyl)but-2-en-1-imine;ethane
PubChem CID171493318
Molecular FormulaC8H15F2N
Molecular Weight163.21 g/mol
Exact Mass163.12
IUPAC Name(E)-2-(1,1-difluoroethyl)but-2-en-1-imine;ethane
SMILESCC.[H]/N=C/C(=C\C)C(C)(F)F
InChIInChI=1S/C6H9F2N.C2H6/c1-3-5(4-9)6(2,7)8;1-2/h3-4,9H,1-2H3;1-2H3/b5-3+,9-4+;
InChIKeyVLUZLWUWTKVAKC-PVFOATAVSA-N
XLogP3.26
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.21
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E)-4-methyl-2-(trifluoromethyl)penta-2,4-dien-1-imine
CID 89528015
(2Z,4E)-6,6,6-trifluoro-5-methyl-2-propylhexa-2,4-dien-1-imine
CID 89697918
(E)-2-fluoro-5-methylhept-4-en-1-imine
CID 89953267
7,7,7-Trifluoro-3,6-dimethyl-4-methylidenehepta-2,5-dien-1-imine
CID 91534333
(2Z,4E)-2-ethyl-4-fluorohexa-2,4-dien-1-imine
CID 118569105
(2E)-5-methyl-3-(trifluoromethyl)hexa-2,4-dien-1-imine
CID 122494579
N,4-dimethyl-2-(trifluoromethyl)penta-2,4-dien-1-imine
CID 123408100
(E)-3-methyl-N-(3,3,3-trifluoropropyl)pent-2-en-1-imine
CID 123586957
(E)-2-fluoro-4-methylpent-2-en-1-imine
CID 123758827
(E)-N-ethyl-4-fluoro-2-(trifluoromethyl)pent-2-en-1-imine
CID 137467801
(2Z)-2-methyl-4-(trifluoromethyl)penta-2,4-dien-1-imine
CID 139333849
(2E)-5-methyl-2-(trifluoromethyl)hexa-2,4-dien-1-imine
CID 141946924

Frequently Asked Questions

What is the IUPAC name of (E)-2-(1,1-difluoroethyl)but-2-en-1-imine;ethane?
The IUPAC name of (E)-2-(1,1-difluoroethyl)but-2-en-1-imine;ethane (CID 171493318) is (E)-2-(1,1-difluoroethyl)but-2-en-1-imine;ethane.
What is the SMILES notation for (E)-2-(1,1-difluoroethyl)but-2-en-1-imine;ethane?
The canonical SMILES for (E)-2-(1,1-difluoroethyl)but-2-en-1-imine;ethane is CC.[H]/N=C/C(=C\C)C(C)(F)F.
What is the InChIKey of (E)-2-(1,1-difluoroethyl)but-2-en-1-imine;ethane?
The InChIKey is VLUZLWUWTKVAKC-PVFOATAVSA-N. The full InChI is InChI=1S/C6H9F2N.C2H6/c1-3-5(4-9)6(2,7)8;1-2/h3-4,9H,1-2H3;1-2H3/b5-3+,9-4+;.
What are the key properties of (E)-2-(1,1-difluoroethyl)but-2-en-1-imine;ethane?
(E)-2-(1,1-difluoroethyl)but-2-en-1-imine;ethane has a molecular weight of 163.21 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(1,1-difluoroethyl)but-2-en-1-imine;ethane is sourced from PubChem (CID 171493318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).