N-[(Z)-4,4-difluoropent-2-enyl]-2-methylidenebutan-1-imine

C10H15F2N — CID 143683476

IUPACN-[(Z)-4,4-difluoropent-2-enyl]-2-methylidenebutan-1-imine
SMILESC=C(/C=N/C/C=C\C(C)(F)F)CC
InChIInChI=1S/C10H15F2N/c1-4-9(2)8-13-7-5-6-10(3,11)12/h5-6,8H,2,4,7H2,1,3H3/b6-5-,13-8+
InChIKeyFOEGMHUTVGFMPP-AVHOOITRSA-N
MW187.23 g/mol
LogP3.23
Rot. Bonds5

About N-[(Z)-4,4-difluoropent-2-enyl]-2-methylidenebutan-1-imine

N-[(Z)-4,4-difluoropent-2-enyl]-2-methylidenebutan-1-imine (PubChem CID 143683476) has the molecular formula C10H15F2N and a molecular weight of 187.23 g/mol. Its IUPAC name is N-[(Z)-4,4-difluoropent-2-enyl]-2-methylidenebutan-1-imine.

Molecular Properties

Compound NameN-[(Z)-4,4-difluoropent-2-enyl]-2-methylidenebutan-1-imine
PubChem CID143683476
Molecular FormulaC10H15F2N
Molecular Weight187.23 g/mol
Exact Mass187.12
IUPAC NameN-[(Z)-4,4-difluoropent-2-enyl]-2-methylidenebutan-1-imine
SMILESC=C(/C=N/C/C=C\C(C)(F)F)CC
InChIInChI=1S/C10H15F2N/c1-4-9(2)8-13-7-5-6-10(3,11)12/h5-6,8H,2,4,7H2,1,3H3/b6-5-,13-8+
InChIKeyFOEGMHUTVGFMPP-AVHOOITRSA-N
XLogP3.23
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.23
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-4,4-difluoropent-2-enyl]-2-methylidenebutan-1-imine?
The IUPAC name of N-[(Z)-4,4-difluoropent-2-enyl]-2-methylidenebutan-1-imine (CID 143683476) is N-[(Z)-4,4-difluoropent-2-enyl]-2-methylidenebutan-1-imine.
What is the SMILES notation for N-[(Z)-4,4-difluoropent-2-enyl]-2-methylidenebutan-1-imine?
The canonical SMILES for N-[(Z)-4,4-difluoropent-2-enyl]-2-methylidenebutan-1-imine is C=C(/C=N/C/C=C\C(C)(F)F)CC.
What is the InChIKey of N-[(Z)-4,4-difluoropent-2-enyl]-2-methylidenebutan-1-imine?
The InChIKey is FOEGMHUTVGFMPP-AVHOOITRSA-N. The full InChI is InChI=1S/C10H15F2N/c1-4-9(2)8-13-7-5-6-10(3,11)12/h5-6,8H,2,4,7H2,1,3H3/b6-5-,13-8+.
What are the key properties of N-[(Z)-4,4-difluoropent-2-enyl]-2-methylidenebutan-1-imine?
N-[(Z)-4,4-difluoropent-2-enyl]-2-methylidenebutan-1-imine has a molecular weight of 187.23 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-4,4-difluoropent-2-enyl]-2-methylidenebutan-1-imine is sourced from PubChem (CID 143683476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).