7,7-difluoro-4-methyl-3-methylidene-N-prop-2-enyloct-1-en-2-amine

C13H21F2N — CID 143142076

IUPAC7,7-difluoro-4-methyl-3-methylidene-N-prop-2-enyloct-1-en-2-amine
SMILESC=CCNC(=C)C(=C)C(C)CCC(C)(F)F
InChIInChI=1S/C13H21F2N/c1-6-9-16-12(4)11(3)10(2)7-8-13(5,14)15/h6,10,16H,1,3-4,7-9H2,2,5H3
InChIKeyCPIPEUDXZABBPS-UHFFFAOYSA-N
MW229.31 g/mol
LogP3.90
Rot. Bonds8

About 7,7-difluoro-4-methyl-3-methylidene-N-prop-2-enyloct-1-en-2-amine

7,7-difluoro-4-methyl-3-methylidene-N-prop-2-enyloct-1-en-2-amine (PubChem CID 143142076) has the molecular formula C13H21F2N and a molecular weight of 229.31 g/mol. Its IUPAC name is 7,7-difluoro-4-methyl-3-methylidene-N-prop-2-enyloct-1-en-2-amine.

Molecular Properties

Compound Name7,7-difluoro-4-methyl-3-methylidene-N-prop-2-enyloct-1-en-2-amine
PubChem CID143142076
Molecular FormulaC13H21F2N
Molecular Weight229.31 g/mol
Exact Mass229.16
IUPAC Name7,7-difluoro-4-methyl-3-methylidene-N-prop-2-enyloct-1-en-2-amine
SMILESC=CCNC(=C)C(=C)C(C)CCC(C)(F)F
InChIInChI=1S/C13H21F2N/c1-6-9-16-12(4)11(3)10(2)7-8-13(5,14)15/h6,10,16H,1,3-4,7-9H2,2,5H3
InChIKeyCPIPEUDXZABBPS-UHFFFAOYSA-N
XLogP3.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7,7-difluoro-4-methyl-3-methylidene-N-prop-2-enyloct-1-en-2-amine?
The IUPAC name of 7,7-difluoro-4-methyl-3-methylidene-N-prop-2-enyloct-1-en-2-amine (CID 143142076) is 7,7-difluoro-4-methyl-3-methylidene-N-prop-2-enyloct-1-en-2-amine.
What is the SMILES notation for 7,7-difluoro-4-methyl-3-methylidene-N-prop-2-enyloct-1-en-2-amine?
The canonical SMILES for 7,7-difluoro-4-methyl-3-methylidene-N-prop-2-enyloct-1-en-2-amine is C=CCNC(=C)C(=C)C(C)CCC(C)(F)F.
What is the InChIKey of 7,7-difluoro-4-methyl-3-methylidene-N-prop-2-enyloct-1-en-2-amine?
The InChIKey is CPIPEUDXZABBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2N/c1-6-9-16-12(4)11(3)10(2)7-8-13(5,14)15/h6,10,16H,1,3-4,7-9H2,2,5H3.
What are the key properties of 7,7-difluoro-4-methyl-3-methylidene-N-prop-2-enyloct-1-en-2-amine?
7,7-difluoro-4-methyl-3-methylidene-N-prop-2-enyloct-1-en-2-amine has a molecular weight of 229.31 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-difluoro-4-methyl-3-methylidene-N-prop-2-enyloct-1-en-2-amine is sourced from PubChem (CID 143142076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).