(E)-3,3-difluoro-2-methyl-3-(methylidene-λ3-iodanyl)-N-propan-2-ylprop-1-en-1-amine

C8H14F2IN — CID 165135042

IUPAC(E)-3,3-difluoro-2-methyl-3-(methylidene-λ3-iodanyl)-N-propan-2-ylprop-1-en-1-amine
SMILESC=IC(F)(F)/C(C)=C/NC(C)C
InChIInChI=1S/C8H14F2IN/c1-6(2)12-5-7(3)8(9,10)11-4/h5-6,12H,4H2,1-3H3/b7-5+
InChIKeyAOHCXAUVUMVJQL-FNORWQNLSA-N
MW289.11 g/mol
LogP2.88
Rot. Bonds4

About (E)-3,3-difluoro-2-methyl-3-(methylidene-λ3-iodanyl)-N-propan-2-ylprop-1-en-1-amine

(E)-3,3-difluoro-2-methyl-3-(methylidene-λ3-iodanyl)-N-propan-2-ylprop-1-en-1-amine (PubChem CID 165135042) has the molecular formula C8H14F2IN and a molecular weight of 289.11 g/mol. Its IUPAC name is (E)-3,3-difluoro-2-methyl-3-(methylidene-λ3-iodanyl)-N-propan-2-ylprop-1-en-1-amine.

Molecular Properties

Compound Name(E)-3,3-difluoro-2-methyl-3-(methylidene-λ3-iodanyl)-N-propan-2-ylprop-1-en-1-amine
PubChem CID165135042
Molecular FormulaC8H14F2IN
Molecular Weight289.11 g/mol
Exact Mass289.01
IUPAC Name(E)-3,3-difluoro-2-methyl-3-(methylidene-λ3-iodanyl)-N-propan-2-ylprop-1-en-1-amine
SMILESC=IC(F)(F)/C(C)=C/NC(C)C
InChIInChI=1S/C8H14F2IN/c1-6(2)12-5-7(3)8(9,10)11-4/h5-6,12H,4H2,1-3H3/b7-5+
InChIKeyAOHCXAUVUMVJQL-FNORWQNLSA-N
XLogP2.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.11
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3,3-difluoro-N-(2-methylprop-1-enyl)butan-2-amine
CID 169260785

Frequently Asked Questions

What is the IUPAC name of (E)-3,3-difluoro-2-methyl-3-(methylidene-λ3-iodanyl)-N-propan-2-ylprop-1-en-1-amine?
The IUPAC name of (E)-3,3-difluoro-2-methyl-3-(methylidene-λ3-iodanyl)-N-propan-2-ylprop-1-en-1-amine (CID 165135042) is (E)-3,3-difluoro-2-methyl-3-(methylidene-λ3-iodanyl)-N-propan-2-ylprop-1-en-1-amine.
What is the SMILES notation for (E)-3,3-difluoro-2-methyl-3-(methylidene-λ3-iodanyl)-N-propan-2-ylprop-1-en-1-amine?
The canonical SMILES for (E)-3,3-difluoro-2-methyl-3-(methylidene-λ3-iodanyl)-N-propan-2-ylprop-1-en-1-amine is C=IC(F)(F)/C(C)=C/NC(C)C.
What is the InChIKey of (E)-3,3-difluoro-2-methyl-3-(methylidene-λ3-iodanyl)-N-propan-2-ylprop-1-en-1-amine?
The InChIKey is AOHCXAUVUMVJQL-FNORWQNLSA-N. The full InChI is InChI=1S/C8H14F2IN/c1-6(2)12-5-7(3)8(9,10)11-4/h5-6,12H,4H2,1-3H3/b7-5+.
What are the key properties of (E)-3,3-difluoro-2-methyl-3-(methylidene-λ3-iodanyl)-N-propan-2-ylprop-1-en-1-amine?
(E)-3,3-difluoro-2-methyl-3-(methylidene-λ3-iodanyl)-N-propan-2-ylprop-1-en-1-amine has a molecular weight of 289.11 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3,3-difluoro-2-methyl-3-(methylidene-λ3-iodanyl)-N-propan-2-ylprop-1-en-1-amine is sourced from PubChem (CID 165135042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).