(Z)-N-[(Z)-1,2-difluoroprop-1-enyl]-3-methylbut-3-en-2-imine

C8H11F2N — CID 162686702

IUPAC(Z)-N-[(Z)-1,2-difluoroprop-1-enyl]-3-methylbut-3-en-2-imine
SMILESC=C(C)/C(C)=N\C(F)=C(/C)F
InChIInChI=1S/C8H11F2N/c1-5(2)7(4)11-8(10)6(3)9/h1H2,2-4H3/b8-6+,11-7-
InChIKeyORJGOCSTQAIAED-VJUDZZRDSA-N
MW159.18 g/mol
LogP3.15
Rot. Bonds2

About (Z)-N-[(Z)-1,2-difluoroprop-1-enyl]-3-methylbut-3-en-2-imine

(Z)-N-[(Z)-1,2-difluoroprop-1-enyl]-3-methylbut-3-en-2-imine (PubChem CID 162686702) has the molecular formula C8H11F2N and a molecular weight of 159.18 g/mol. Its IUPAC name is (Z)-N-[(Z)-1,2-difluoroprop-1-enyl]-3-methylbut-3-en-2-imine.

Molecular Properties

Compound Name(Z)-N-[(Z)-1,2-difluoroprop-1-enyl]-3-methylbut-3-en-2-imine
PubChem CID162686702
Molecular FormulaC8H11F2N
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name(Z)-N-[(Z)-1,2-difluoroprop-1-enyl]-3-methylbut-3-en-2-imine
SMILESC=C(C)/C(C)=N\C(F)=C(/C)F
InChIInChI=1S/C8H11F2N/c1-5(2)7(4)11-8(10)6(3)9/h1H2,2-4H3/b8-6+,11-7-
InChIKeyORJGOCSTQAIAED-VJUDZZRDSA-N
XLogP3.15
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 53.15
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 (Z)-N-[(Z)-1,2-difluoroprop-1-enyl]-3-methylbut-3-en-2-imine?
The IUPAC name of (Z)-N-[(Z)-1,2-difluoroprop-1-enyl]-3-methylbut-3-en-2-imine (CID 162686702) is (Z)-N-[(Z)-1,2-difluoroprop-1-enyl]-3-methylbut-3-en-2-imine.
What is the SMILES notation for (Z)-N-[(Z)-1,2-difluoroprop-1-enyl]-3-methylbut-3-en-2-imine?
The canonical SMILES for (Z)-N-[(Z)-1,2-difluoroprop-1-enyl]-3-methylbut-3-en-2-imine is C=C(C)/C(C)=N\C(F)=C(/C)F.
What is the InChIKey of (Z)-N-[(Z)-1,2-difluoroprop-1-enyl]-3-methylbut-3-en-2-imine?
The InChIKey is ORJGOCSTQAIAED-VJUDZZRDSA-N. The full InChI is InChI=1S/C8H11F2N/c1-5(2)7(4)11-8(10)6(3)9/h1H2,2-4H3/b8-6+,11-7-.
What are the key properties of (Z)-N-[(Z)-1,2-difluoroprop-1-enyl]-3-methylbut-3-en-2-imine?
(Z)-N-[(Z)-1,2-difluoroprop-1-enyl]-3-methylbut-3-en-2-imine has a molecular weight of 159.18 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(Z)-1,2-difluoroprop-1-enyl]-3-methylbut-3-en-2-imine is sourced from PubChem (CID 162686702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).