[2-(2,2-difluoroethyl)-4,4-difluorobutyl]-ethylazanide

C8H14F4N- — CID 162205883

IUPAC[2-(2,2-difluoroethyl)-4,4-difluorobutyl]-ethylazanide
SMILESCC[N-]CC(CC(F)F)CC(F)F
InChIInChI=1S/C8H14F4N/c1-2-13-5-6(3-7(9)10)4-8(11)12/h6-8H,2-5H2,1H3/q-1
InChIKeyZSEJHGPSTDYKEN-UHFFFAOYSA-N
MW200.20 g/mol
LogP3.31
Rot. Bonds7

About [2-(2,2-difluoroethyl)-4,4-difluorobutyl]-ethylazanide

[2-(2,2-difluoroethyl)-4,4-difluorobutyl]-ethylazanide (PubChem CID 162205883) has the molecular formula C8H14F4N- and a molecular weight of 200.20 g/mol. Its IUPAC name is [2-(2,2-difluoroethyl)-4,4-difluorobutyl]-ethylazanide.

Molecular Properties

Compound Name[2-(2,2-difluoroethyl)-4,4-difluorobutyl]-ethylazanide
PubChem CID162205883
Molecular FormulaC8H14F4N-
Molecular Weight200.20 g/mol
Exact Mass200.11
IUPAC Name[2-(2,2-difluoroethyl)-4,4-difluorobutyl]-ethylazanide
SMILESCC[N-]CC(CC(F)F)CC(F)F
InChIInChI=1S/C8H14F4N/c1-2-13-5-6(3-7(9)10)4-8(11)12/h6-8H,2-5H2,1H3/q-1
InChIKeyZSEJHGPSTDYKEN-UHFFFAOYSA-N
XLogP3.31
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of [2-(2,2-difluoroethyl)-4,4-difluorobutyl]-ethylazanide?
The IUPAC name of [2-(2,2-difluoroethyl)-4,4-difluorobutyl]-ethylazanide (CID 162205883) is [2-(2,2-difluoroethyl)-4,4-difluorobutyl]-ethylazanide.
What is the SMILES notation for [2-(2,2-difluoroethyl)-4,4-difluorobutyl]-ethylazanide?
The canonical SMILES for [2-(2,2-difluoroethyl)-4,4-difluorobutyl]-ethylazanide is CC[N-]CC(CC(F)F)CC(F)F.
What is the InChIKey of [2-(2,2-difluoroethyl)-4,4-difluorobutyl]-ethylazanide?
The InChIKey is ZSEJHGPSTDYKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F4N/c1-2-13-5-6(3-7(9)10)4-8(11)12/h6-8H,2-5H2,1H3/q-1.
What are the key properties of [2-(2,2-difluoroethyl)-4,4-difluorobutyl]-ethylazanide?
[2-(2,2-difluoroethyl)-4,4-difluorobutyl]-ethylazanide has a molecular weight of 200.20 g/mol, XLogP of 3.31, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2-difluoroethyl)-4,4-difluorobutyl]-ethylazanide is sourced from PubChem (CID 162205883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).