2-fluoro-2-methyl-N-propan-2-ylidene-N'-prop-1-en-2-ylpropanimidamide

C10H17FN2 — CID 144949692

IUPAC2-fluoro-2-methyl-N-propan-2-ylidene-N'-prop-1-en-2-ylpropanimidamide
SMILESC=C(C)/N=C(/N=C(C)C)C(C)(C)F
InChIInChI=1S/C10H17FN2/c1-7(2)12-9(10(5,6)11)13-8(3)4/h1H2,2-6H3/b12-9+
InChIKeyJTLCPAMXBMYMRH-FMIVXFBMSA-N
MW184.26 g/mol
LogP3.15
Rot. Bonds2

About 2-fluoro-2-methyl-N-propan-2-ylidene-N'-prop-1-en-2-ylpropanimidamide

2-fluoro-2-methyl-N-propan-2-ylidene-N'-prop-1-en-2-ylpropanimidamide (PubChem CID 144949692) has the molecular formula C10H17FN2 and a molecular weight of 184.26 g/mol. Its IUPAC name is 2-fluoro-2-methyl-N-propan-2-ylidene-N'-prop-1-en-2-ylpropanimidamide.

Molecular Properties

Compound Name2-fluoro-2-methyl-N-propan-2-ylidene-N'-prop-1-en-2-ylpropanimidamide
PubChem CID144949692
Molecular FormulaC10H17FN2
Molecular Weight184.26 g/mol
Exact Mass184.14
IUPAC Name2-fluoro-2-methyl-N-propan-2-ylidene-N'-prop-1-en-2-ylpropanimidamide
SMILESC=C(C)/N=C(/N=C(C)C)C(C)(C)F
InChIInChI=1S/C10H17FN2/c1-7(2)12-9(10(5,6)11)13-8(3)4/h1H2,2-6H3/b12-9+
InChIKeyJTLCPAMXBMYMRH-FMIVXFBMSA-N
XLogP3.15
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 53.15
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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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methyl-N-propan-2-ylidene-N'-prop-1-en-2-ylpropanimidamide?
The IUPAC name of 2-fluoro-2-methyl-N-propan-2-ylidene-N'-prop-1-en-2-ylpropanimidamide (CID 144949692) is 2-fluoro-2-methyl-N-propan-2-ylidene-N'-prop-1-en-2-ylpropanimidamide.
What is the SMILES notation for 2-fluoro-2-methyl-N-propan-2-ylidene-N'-prop-1-en-2-ylpropanimidamide?
The canonical SMILES for 2-fluoro-2-methyl-N-propan-2-ylidene-N'-prop-1-en-2-ylpropanimidamide is C=C(C)/N=C(/N=C(C)C)C(C)(C)F.
What is the InChIKey of 2-fluoro-2-methyl-N-propan-2-ylidene-N'-prop-1-en-2-ylpropanimidamide?
The InChIKey is JTLCPAMXBMYMRH-FMIVXFBMSA-N. The full InChI is InChI=1S/C10H17FN2/c1-7(2)12-9(10(5,6)11)13-8(3)4/h1H2,2-6H3/b12-9+.
What are the key properties of 2-fluoro-2-methyl-N-propan-2-ylidene-N'-prop-1-en-2-ylpropanimidamide?
2-fluoro-2-methyl-N-propan-2-ylidene-N'-prop-1-en-2-ylpropanimidamide has a molecular weight of 184.26 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methyl-N-propan-2-ylidene-N'-prop-1-en-2-ylpropanimidamide is sourced from PubChem (CID 144949692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).