(Z)-N-(1-fluoroethenyl)-4-methyl-3-methylidenepentan-2-imine;hydrofluoride

C9H15F2N — CID 144768741

IUPAC(Z)-N-(1-fluoroethenyl)-4-methyl-3-methylidenepentan-2-imine;hydrofluoride
SMILESC=C(F)/N=C(/C)C(=C)C(C)C.F
InChIInChI=1S/C9H14FN.FH/c1-6(2)7(3)8(4)11-9(5)10;/h6H,3,5H2,1-2,4H3;1H/b11-8-;
InChIKeyJJAHDHJWKVADCR-MKFZHGHUSA-N
MW175.22 g/mol
LogP3.25
Rot. Bonds3

About (Z)-N-(1-fluoroethenyl)-4-methyl-3-methylidenepentan-2-imine;hydrofluoride

(Z)-N-(1-fluoroethenyl)-4-methyl-3-methylidenepentan-2-imine;hydrofluoride (PubChem CID 144768741) has the molecular formula C9H15F2N and a molecular weight of 175.22 g/mol. Its IUPAC name is (Z)-N-(1-fluoroethenyl)-4-methyl-3-methylidenepentan-2-imine;hydrofluoride.

Molecular Properties

Compound Name(Z)-N-(1-fluoroethenyl)-4-methyl-3-methylidenepentan-2-imine;hydrofluoride
PubChem CID144768741
Molecular FormulaC9H15F2N
Molecular Weight175.22 g/mol
Exact Mass175.12
IUPAC Name(Z)-N-(1-fluoroethenyl)-4-methyl-3-methylidenepentan-2-imine;hydrofluoride
SMILESC=C(F)/N=C(/C)C(=C)C(C)C.F
InChIInChI=1S/C9H14FN.FH/c1-6(2)7(3)8(4)11-9(5)10;/h6H,3,5H2,1-2,4H3;1H/b11-8-;
InChIKeyJJAHDHJWKVADCR-MKFZHGHUSA-N
XLogP3.25
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.22
LogP ≤ 53.25
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-(1-fluoroethenyl)-4-methyl-3-methylidenepentan-2-imine;hydrofluoride?
The IUPAC name of (Z)-N-(1-fluoroethenyl)-4-methyl-3-methylidenepentan-2-imine;hydrofluoride (CID 144768741) is (Z)-N-(1-fluoroethenyl)-4-methyl-3-methylidenepentan-2-imine;hydrofluoride.
What is the SMILES notation for (Z)-N-(1-fluoroethenyl)-4-methyl-3-methylidenepentan-2-imine;hydrofluoride?
The canonical SMILES for (Z)-N-(1-fluoroethenyl)-4-methyl-3-methylidenepentan-2-imine;hydrofluoride is C=C(F)/N=C(/C)C(=C)C(C)C.F.
What is the InChIKey of (Z)-N-(1-fluoroethenyl)-4-methyl-3-methylidenepentan-2-imine;hydrofluoride?
The InChIKey is JJAHDHJWKVADCR-MKFZHGHUSA-N. The full InChI is InChI=1S/C9H14FN.FH/c1-6(2)7(3)8(4)11-9(5)10;/h6H,3,5H2,1-2,4H3;1H/b11-8-;.
What are the key properties of (Z)-N-(1-fluoroethenyl)-4-methyl-3-methylidenepentan-2-imine;hydrofluoride?
(Z)-N-(1-fluoroethenyl)-4-methyl-3-methylidenepentan-2-imine;hydrofluoride has a molecular weight of 175.22 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(1-fluoroethenyl)-4-methyl-3-methylidenepentan-2-imine;hydrofluoride is sourced from PubChem (CID 144768741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).