(E)-N-tert-butyl-7,7-difluoro-2,2-dimethyloct-5-en-1-amine

C14H27F2N — CID 88975393

IUPAC(E)-N-tert-butyl-7,7-difluoro-2,2-dimethyloct-5-en-1-amine
SMILESCC(F)(F)/C=C/CCC(C)(C)CNC(C)(C)C
InChIInChI=1S/C14H27F2N/c1-12(2,3)17-11-13(4,5)9-7-8-10-14(6,15)16/h8,10,17H,7,9,11H2,1-6H3/b10-8+
InChIKeyBZZYINYKIPNYHA-CSKARUKUSA-N
MW247.37 g/mol
LogP4.39
Rot. Bonds6

About (E)-N-tert-butyl-7,7-difluoro-2,2-dimethyloct-5-en-1-amine

(E)-N-tert-butyl-7,7-difluoro-2,2-dimethyloct-5-en-1-amine (PubChem CID 88975393) has the molecular formula C14H27F2N and a molecular weight of 247.37 g/mol. Its IUPAC name is (E)-N-tert-butyl-7,7-difluoro-2,2-dimethyloct-5-en-1-amine.

Molecular Properties

Compound Name(E)-N-tert-butyl-7,7-difluoro-2,2-dimethyloct-5-en-1-amine
PubChem CID88975393
Molecular FormulaC14H27F2N
Molecular Weight247.37 g/mol
Exact Mass247.21
IUPAC Name(E)-N-tert-butyl-7,7-difluoro-2,2-dimethyloct-5-en-1-amine
SMILESCC(F)(F)/C=C/CCC(C)(C)CNC(C)(C)C
InChIInChI=1S/C14H27F2N/c1-12(2,3)17-11-13(4,5)9-7-8-10-14(6,15)16/h8,10,17H,7,9,11H2,1-6H3/b10-8+
InChIKeyBZZYINYKIPNYHA-CSKARUKUSA-N
XLogP4.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-tert-butyl-7,7-difluoro-2,2-dimethyloct-5-en-1-amine?
The IUPAC name of (E)-N-tert-butyl-7,7-difluoro-2,2-dimethyloct-5-en-1-amine (CID 88975393) is (E)-N-tert-butyl-7,7-difluoro-2,2-dimethyloct-5-en-1-amine.
What is the SMILES notation for (E)-N-tert-butyl-7,7-difluoro-2,2-dimethyloct-5-en-1-amine?
The canonical SMILES for (E)-N-tert-butyl-7,7-difluoro-2,2-dimethyloct-5-en-1-amine is CC(F)(F)/C=C/CCC(C)(C)CNC(C)(C)C.
What is the InChIKey of (E)-N-tert-butyl-7,7-difluoro-2,2-dimethyloct-5-en-1-amine?
The InChIKey is BZZYINYKIPNYHA-CSKARUKUSA-N. The full InChI is InChI=1S/C14H27F2N/c1-12(2,3)17-11-13(4,5)9-7-8-10-14(6,15)16/h8,10,17H,7,9,11H2,1-6H3/b10-8+.
What are the key properties of (E)-N-tert-butyl-7,7-difluoro-2,2-dimethyloct-5-en-1-amine?
(E)-N-tert-butyl-7,7-difluoro-2,2-dimethyloct-5-en-1-amine has a molecular weight of 247.37 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-tert-butyl-7,7-difluoro-2,2-dimethyloct-5-en-1-amine is sourced from PubChem (CID 88975393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).