4,4-difluoro-N'-methyl-N-prop-2-enylidenepentanimidamide

C9H14F2N2 — CID 167172059

IUPAC4,4-difluoro-N'-methyl-N-prop-2-enylidenepentanimidamide
SMILESC=C/C=N/C(CCC(C)(F)F)=N\C
InChIInChI=1S/C9H14F2N2/c1-4-7-13-8(12-3)5-6-9(2,10)11/h4,7H,1,5-6H2,2-3H3/b12-8-,13-7+
InChIKeyJCCSVBCXDJHCLK-CZAVNJROSA-N
MW188.22 g/mol
LogP2.71
Rot. Bonds4

About 4,4-difluoro-N'-methyl-N-prop-2-enylidenepentanimidamide

4,4-difluoro-N'-methyl-N-prop-2-enylidenepentanimidamide (PubChem CID 167172059) has the molecular formula C9H14F2N2 and a molecular weight of 188.22 g/mol. Its IUPAC name is 4,4-difluoro-N'-methyl-N-prop-2-enylidenepentanimidamide.

Molecular Properties

Compound Name4,4-difluoro-N'-methyl-N-prop-2-enylidenepentanimidamide
PubChem CID167172059
Molecular FormulaC9H14F2N2
Molecular Weight188.22 g/mol
Exact Mass188.11
IUPAC Name4,4-difluoro-N'-methyl-N-prop-2-enylidenepentanimidamide
SMILESC=C/C=N/C(CCC(C)(F)F)=N\C
InChIInChI=1S/C9H14F2N2/c1-4-7-13-8(12-3)5-6-9(2,10)11/h4,7H,1,5-6H2,2-3H3/b12-8-,13-7+
InChIKeyJCCSVBCXDJHCLK-CZAVNJROSA-N
XLogP2.71
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-methyl-N-prop-2-enylidenebutanimidamide
CID 134462728

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N'-methyl-N-prop-2-enylidenepentanimidamide?
The IUPAC name of 4,4-difluoro-N'-methyl-N-prop-2-enylidenepentanimidamide (CID 167172059) is 4,4-difluoro-N'-methyl-N-prop-2-enylidenepentanimidamide.
What is the SMILES notation for 4,4-difluoro-N'-methyl-N-prop-2-enylidenepentanimidamide?
The canonical SMILES for 4,4-difluoro-N'-methyl-N-prop-2-enylidenepentanimidamide is C=C/C=N/C(CCC(C)(F)F)=N\C.
What is the InChIKey of 4,4-difluoro-N'-methyl-N-prop-2-enylidenepentanimidamide?
The InChIKey is JCCSVBCXDJHCLK-CZAVNJROSA-N. The full InChI is InChI=1S/C9H14F2N2/c1-4-7-13-8(12-3)5-6-9(2,10)11/h4,7H,1,5-6H2,2-3H3/b12-8-,13-7+.
What are the key properties of 4,4-difluoro-N'-methyl-N-prop-2-enylidenepentanimidamide?
4,4-difluoro-N'-methyl-N-prop-2-enylidenepentanimidamide has a molecular weight of 188.22 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N'-methyl-N-prop-2-enylidenepentanimidamide is sourced from PubChem (CID 167172059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).