N-[(Z)-1,2-difluoroethenyl]pentan-1-imine

C7H11F2N — CID 91524228

IUPACN-[(Z)-1,2-difluoroethenyl]pentan-1-imine
SMILESCCCCC=N/C(F)=C/F
InChIInChI=1S/C7H11F2N/c1-2-3-4-5-10-7(9)6-8/h5-6H,2-4H2,1H3/b7-6+,10-5?
InChIKeyTXVUOWYDXMGKOF-DVIQWAPXSA-N
MW147.17 g/mol
LogP2.99
Rot. Bonds4

About N-[(Z)-1,2-difluoroethenyl]pentan-1-imine

N-[(Z)-1,2-difluoroethenyl]pentan-1-imine (PubChem CID 91524228) has the molecular formula C7H11F2N and a molecular weight of 147.17 g/mol. Its IUPAC name is N-[(Z)-1,2-difluoroethenyl]pentan-1-imine.

Molecular Properties

Compound NameN-[(Z)-1,2-difluoroethenyl]pentan-1-imine
PubChem CID91524228
Molecular FormulaC7H11F2N
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC NameN-[(Z)-1,2-difluoroethenyl]pentan-1-imine
SMILESCCCCC=N/C(F)=C/F
InChIInChI=1S/C7H11F2N/c1-2-3-4-5-10-7(9)6-8/h5-6H,2-4H2,1H3/b7-6+,10-5?
InChIKeyTXVUOWYDXMGKOF-DVIQWAPXSA-N
XLogP2.99
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-difluoroethenyl]pentan-1-imine?
The IUPAC name of N-[(Z)-1,2-difluoroethenyl]pentan-1-imine (CID 91524228) is N-[(Z)-1,2-difluoroethenyl]pentan-1-imine.
What is the SMILES notation for N-[(Z)-1,2-difluoroethenyl]pentan-1-imine?
The canonical SMILES for N-[(Z)-1,2-difluoroethenyl]pentan-1-imine is CCCCC=N/C(F)=C/F.
What is the InChIKey of N-[(Z)-1,2-difluoroethenyl]pentan-1-imine?
The InChIKey is TXVUOWYDXMGKOF-DVIQWAPXSA-N. The full InChI is InChI=1S/C7H11F2N/c1-2-3-4-5-10-7(9)6-8/h5-6H,2-4H2,1H3/b7-6+,10-5?.
What are the key properties of N-[(Z)-1,2-difluoroethenyl]pentan-1-imine?
N-[(Z)-1,2-difluoroethenyl]pentan-1-imine has a molecular weight of 147.17 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1,2-difluoroethenyl]pentan-1-imine is sourced from PubChem (CID 91524228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).