4-N-(2,3-difluoro-2,3-dimethylbutyl)-3,3-dimethylpenta-1,4-diene-2,4-diamine

C13H24F2N2 — CID 154937054

IUPAC4-N-(2,3-difluoro-2,3-dimethylbutyl)-3,3-dimethylpenta-1,4-diene-2,4-diamine
SMILESC=C(N)C(C)(C)C(=C)NCC(C)(F)C(C)(C)F
InChIInChI=1S/C13H24F2N2/c1-9(16)11(3,4)10(2)17-8-13(7,15)12(5,6)14/h17H,1-2,8,16H2,3-7H3
InChIKeyNEGULISVCMFWFJ-UHFFFAOYSA-N
MW246.34 g/mol
LogP3.06
Rot. Bonds6

About 4-N-(2,3-difluoro-2,3-dimethylbutyl)-3,3-dimethylpenta-1,4-diene-2,4-diamine

4-N-(2,3-difluoro-2,3-dimethylbutyl)-3,3-dimethylpenta-1,4-diene-2,4-diamine (PubChem CID 154937054) has the molecular formula C13H24F2N2 and a molecular weight of 246.34 g/mol. Its IUPAC name is 4-N-(2,3-difluoro-2,3-dimethylbutyl)-3,3-dimethylpenta-1,4-diene-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,3-difluoro-2,3-dimethylbutyl)-3,3-dimethylpenta-1,4-diene-2,4-diamine
PubChem CID154937054
Molecular FormulaC13H24F2N2
Molecular Weight246.34 g/mol
Exact Mass246.19
IUPAC Name4-N-(2,3-difluoro-2,3-dimethylbutyl)-3,3-dimethylpenta-1,4-diene-2,4-diamine
SMILESC=C(N)C(C)(C)C(=C)NCC(C)(F)C(C)(C)F
InChIInChI=1S/C13H24F2N2/c1-9(16)11(3,4)10(2)17-8-13(7,15)12(5,6)14/h17H,1-2,8,16H2,3-7H3
InChIKeyNEGULISVCMFWFJ-UHFFFAOYSA-N
XLogP3.06
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3-difluoro-2,3-dimethylbutyl)-3,3-dimethylpenta-1,4-diene-2,4-diamine?
The IUPAC name of 4-N-(2,3-difluoro-2,3-dimethylbutyl)-3,3-dimethylpenta-1,4-diene-2,4-diamine (CID 154937054) is 4-N-(2,3-difluoro-2,3-dimethylbutyl)-3,3-dimethylpenta-1,4-diene-2,4-diamine.
What is the SMILES notation for 4-N-(2,3-difluoro-2,3-dimethylbutyl)-3,3-dimethylpenta-1,4-diene-2,4-diamine?
The canonical SMILES for 4-N-(2,3-difluoro-2,3-dimethylbutyl)-3,3-dimethylpenta-1,4-diene-2,4-diamine is C=C(N)C(C)(C)C(=C)NCC(C)(F)C(C)(C)F.
What is the InChIKey of 4-N-(2,3-difluoro-2,3-dimethylbutyl)-3,3-dimethylpenta-1,4-diene-2,4-diamine?
The InChIKey is NEGULISVCMFWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2N2/c1-9(16)11(3,4)10(2)17-8-13(7,15)12(5,6)14/h17H,1-2,8,16H2,3-7H3.
What are the key properties of 4-N-(2,3-difluoro-2,3-dimethylbutyl)-3,3-dimethylpenta-1,4-diene-2,4-diamine?
4-N-(2,3-difluoro-2,3-dimethylbutyl)-3,3-dimethylpenta-1,4-diene-2,4-diamine has a molecular weight of 246.34 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,3-difluoro-2,3-dimethylbutyl)-3,3-dimethylpenta-1,4-diene-2,4-diamine is sourced from PubChem (CID 154937054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).