2-fluoro-N'-[(E)-3-fluoropent-3-en-2-yl]-N-propan-2-ylethanimidamide

C10H18F2N2 — CID 138648416

IUPAC2-fluoro-N'-[(E)-3-fluoropent-3-en-2-yl]-N-propan-2-ylethanimidamide
SMILESC/C=C(/F)C(C)/N=C(\CF)NC(C)C
InChIInChI=1S/C10H18F2N2/c1-5-9(12)8(4)14-10(6-11)13-7(2)3/h5,7-8H,6H2,1-4H3,(H,13,14)/b9-5+
InChIKeyTXVJHGSFVOXANM-WEVVVXLNSA-N
MW204.26 g/mol
LogP2.61
Rot. Bonds4

About 2-fluoro-N'-[(E)-3-fluoropent-3-en-2-yl]-N-propan-2-ylethanimidamide

2-fluoro-N'-[(E)-3-fluoropent-3-en-2-yl]-N-propan-2-ylethanimidamide (PubChem CID 138648416) has the molecular formula C10H18F2N2 and a molecular weight of 204.26 g/mol. Its IUPAC name is 2-fluoro-N'-[(E)-3-fluoropent-3-en-2-yl]-N-propan-2-ylethanimidamide.

Molecular Properties

Compound Name2-fluoro-N'-[(E)-3-fluoropent-3-en-2-yl]-N-propan-2-ylethanimidamide
PubChem CID138648416
Molecular FormulaC10H18F2N2
Molecular Weight204.26 g/mol
Exact Mass204.14
IUPAC Name2-fluoro-N'-[(E)-3-fluoropent-3-en-2-yl]-N-propan-2-ylethanimidamide
SMILESC/C=C(/F)C(C)/N=C(\CF)NC(C)C
InChIInChI=1S/C10H18F2N2/c1-5-9(12)8(4)14-10(6-11)13-7(2)3/h5,7-8H,6H2,1-4H3,(H,13,14)/b9-5+
InChIKeyTXVJHGSFVOXANM-WEVVVXLNSA-N
XLogP2.61
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.26
LogP ≤ 52.61
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N'-[(E)-3-fluoropent-3-en-2-yl]-N-propan-2-ylethanimidamide?
The IUPAC name of 2-fluoro-N'-[(E)-3-fluoropent-3-en-2-yl]-N-propan-2-ylethanimidamide (CID 138648416) is 2-fluoro-N'-[(E)-3-fluoropent-3-en-2-yl]-N-propan-2-ylethanimidamide.
What is the SMILES notation for 2-fluoro-N'-[(E)-3-fluoropent-3-en-2-yl]-N-propan-2-ylethanimidamide?
The canonical SMILES for 2-fluoro-N'-[(E)-3-fluoropent-3-en-2-yl]-N-propan-2-ylethanimidamide is C/C=C(/F)C(C)/N=C(\CF)NC(C)C.
What is the InChIKey of 2-fluoro-N'-[(E)-3-fluoropent-3-en-2-yl]-N-propan-2-ylethanimidamide?
The InChIKey is TXVJHGSFVOXANM-WEVVVXLNSA-N. The full InChI is InChI=1S/C10H18F2N2/c1-5-9(12)8(4)14-10(6-11)13-7(2)3/h5,7-8H,6H2,1-4H3,(H,13,14)/b9-5+.
What are the key properties of 2-fluoro-N'-[(E)-3-fluoropent-3-en-2-yl]-N-propan-2-ylethanimidamide?
2-fluoro-N'-[(E)-3-fluoropent-3-en-2-yl]-N-propan-2-ylethanimidamide has a molecular weight of 204.26 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-[(E)-3-fluoropent-3-en-2-yl]-N-propan-2-ylethanimidamide is sourced from PubChem (CID 138648416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).