(Z)-1,1,1,4,4,4-hexafluoro-N,N-dimethylbut-2-en-2-amine

C6H7F6N — CID 5463142

IUPAC(Z)-1,1,1,4,4,4-hexafluoro-N,N-dimethylbut-2-en-2-amine
SMILESCN(C)/C(=C\C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H7F6N/c1-13(2)4(6(10,11)12)3-5(7,8)9/h3H,1-2H3/b4-3-
InChIKeyJMEOONFZWPEJCO-ARJAWSKDSA-N
MW207.12 g/mol
LogP2.56
Rot. Bonds1

About (Z)-1,1,1,4,4,4-hexafluoro-N,N-dimethylbut-2-en-2-amine

(Z)-1,1,1,4,4,4-hexafluoro-N,N-dimethylbut-2-en-2-amine (PubChem CID 5463142) has the molecular formula C6H7F6N and a molecular weight of 207.12 g/mol. Its IUPAC name is (Z)-1,1,1,4,4,4-hexafluoro-N,N-dimethylbut-2-en-2-amine.

Molecular Properties

Compound Name(Z)-1,1,1,4,4,4-hexafluoro-N,N-dimethylbut-2-en-2-amine
PubChem CID5463142
Molecular FormulaC6H7F6N
Molecular Weight207.12 g/mol
Exact Mass207.05
IUPAC Name(Z)-1,1,1,4,4,4-hexafluoro-N,N-dimethylbut-2-en-2-amine
SMILESCN(C)/C(=C\C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H7F6N/c1-13(2)4(6(10,11)12)3-5(7,8)9/h3H,1-2H3/b4-3-
InChIKeyJMEOONFZWPEJCO-ARJAWSKDSA-N
XLogP2.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.12
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (Z)-1,1,1,4,4,4-hexafluoro-N,N-dimethylbut-2-en-2-amine?
The IUPAC name of (Z)-1,1,1,4,4,4-hexafluoro-N,N-dimethylbut-2-en-2-amine (CID 5463142) is (Z)-1,1,1,4,4,4-hexafluoro-N,N-dimethylbut-2-en-2-amine.
What is the SMILES notation for (Z)-1,1,1,4,4,4-hexafluoro-N,N-dimethylbut-2-en-2-amine?
The canonical SMILES for (Z)-1,1,1,4,4,4-hexafluoro-N,N-dimethylbut-2-en-2-amine is CN(C)/C(=C\C(F)(F)F)C(F)(F)F.
What is the InChIKey of (Z)-1,1,1,4,4,4-hexafluoro-N,N-dimethylbut-2-en-2-amine?
The InChIKey is JMEOONFZWPEJCO-ARJAWSKDSA-N. The full InChI is InChI=1S/C6H7F6N/c1-13(2)4(6(10,11)12)3-5(7,8)9/h3H,1-2H3/b4-3-.
What are the key properties of (Z)-1,1,1,4,4,4-hexafluoro-N,N-dimethylbut-2-en-2-amine?
(Z)-1,1,1,4,4,4-hexafluoro-N,N-dimethylbut-2-en-2-amine has a molecular weight of 207.12 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,1,1,4,4,4-hexafluoro-N,N-dimethylbut-2-en-2-amine is sourced from PubChem (CID 5463142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).