N-[(Z)-1-fluorooct-1-en-2-yl]methanimine

C9H16FN — CID 145225939

IUPACN-[(Z)-1-fluorooct-1-en-2-yl]methanimine
SMILESC=N/C(=C\F)CCCCCC
InChIInChI=1S/C9H16FN/c1-3-4-5-6-7-9(8-10)11-2/h8H,2-7H2,1H3/b9-8-
InChIKeyRMKKQJAVMZLDCG-HJWRWDBZSA-N
MW157.23 g/mol
LogP3.47
Rot. Bonds6

About N-[(Z)-1-fluorooct-1-en-2-yl]methanimine

N-[(Z)-1-fluorooct-1-en-2-yl]methanimine (PubChem CID 145225939) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is N-[(Z)-1-fluorooct-1-en-2-yl]methanimine.

Molecular Properties

Compound NameN-[(Z)-1-fluorooct-1-en-2-yl]methanimine
PubChem CID145225939
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC NameN-[(Z)-1-fluorooct-1-en-2-yl]methanimine
SMILESC=N/C(=C\F)CCCCCC
InChIInChI=1S/C9H16FN/c1-3-4-5-6-7-9(8-10)11-2/h8H,2-7H2,1H3/b9-8-
InChIKeyRMKKQJAVMZLDCG-HJWRWDBZSA-N
XLogP3.47
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 53.47
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'}

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Related Compounds

N-(8-methyldeca-1,8,9-trien-2-yl)methanimine
CID 91381985
N-[(Z)-2-(methylideneamino)hept-1-enyl]methanimine
CID 141981878
N-dec-1-en-2-ylmethanimine
CID 141855719

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-fluorooct-1-en-2-yl]methanimine?
The IUPAC name of N-[(Z)-1-fluorooct-1-en-2-yl]methanimine (CID 145225939) is N-[(Z)-1-fluorooct-1-en-2-yl]methanimine.
What is the SMILES notation for N-[(Z)-1-fluorooct-1-en-2-yl]methanimine?
The canonical SMILES for N-[(Z)-1-fluorooct-1-en-2-yl]methanimine is C=N/C(=C\F)CCCCCC.
What is the InChIKey of N-[(Z)-1-fluorooct-1-en-2-yl]methanimine?
The InChIKey is RMKKQJAVMZLDCG-HJWRWDBZSA-N. The full InChI is InChI=1S/C9H16FN/c1-3-4-5-6-7-9(8-10)11-2/h8H,2-7H2,1H3/b9-8-.
What are the key properties of N-[(Z)-1-fluorooct-1-en-2-yl]methanimine?
N-[(Z)-1-fluorooct-1-en-2-yl]methanimine has a molecular weight of 157.23 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-fluorooct-1-en-2-yl]methanimine is sourced from PubChem (CID 145225939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).