(E)-1,1,1,3,4-pentafluoro-N,N-dimethylbut-2-en-2-amine

C6H8F5N — CID 155323205

IUPAC(E)-1,1,1,3,4-pentafluoro-N,N-dimethylbut-2-en-2-amine
SMILESCN(C)/C(=C(/F)CF)C(F)(F)F
InChIInChI=1S/C6H8F5N/c1-12(2)5(4(8)3-7)6(9,10)11/h3H2,1-2H3/b5-4+
InChIKeyUEAKQTGLTYQEPU-SNAWJCMRSA-N
MW189.13 g/mol
LogP2.26
Rot. Bonds2

About (E)-1,1,1,3,4-pentafluoro-N,N-dimethylbut-2-en-2-amine

(E)-1,1,1,3,4-pentafluoro-N,N-dimethylbut-2-en-2-amine (PubChem CID 155323205) has the molecular formula C6H8F5N and a molecular weight of 189.13 g/mol. Its IUPAC name is (E)-1,1,1,3,4-pentafluoro-N,N-dimethylbut-2-en-2-amine.

Molecular Properties

Compound Name(E)-1,1,1,3,4-pentafluoro-N,N-dimethylbut-2-en-2-amine
PubChem CID155323205
Molecular FormulaC6H8F5N
Molecular Weight189.13 g/mol
Exact Mass189.06
IUPAC Name(E)-1,1,1,3,4-pentafluoro-N,N-dimethylbut-2-en-2-amine
SMILESCN(C)/C(=C(/F)CF)C(F)(F)F
InChIInChI=1S/C6H8F5N/c1-12(2)5(4(8)3-7)6(9,10)11/h3H2,1-2H3/b5-4+
InChIKeyUEAKQTGLTYQEPU-SNAWJCMRSA-N
XLogP2.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.13
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-1,1,1,3,4-pentafluoro-N,N-dimethylbut-2-en-2-amine?
The IUPAC name of (E)-1,1,1,3,4-pentafluoro-N,N-dimethylbut-2-en-2-amine (CID 155323205) is (E)-1,1,1,3,4-pentafluoro-N,N-dimethylbut-2-en-2-amine.
What is the SMILES notation for (E)-1,1,1,3,4-pentafluoro-N,N-dimethylbut-2-en-2-amine?
The canonical SMILES for (E)-1,1,1,3,4-pentafluoro-N,N-dimethylbut-2-en-2-amine is CN(C)/C(=C(/F)CF)C(F)(F)F.
What is the InChIKey of (E)-1,1,1,3,4-pentafluoro-N,N-dimethylbut-2-en-2-amine?
The InChIKey is UEAKQTGLTYQEPU-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H8F5N/c1-12(2)5(4(8)3-7)6(9,10)11/h3H2,1-2H3/b5-4+.
What are the key properties of (E)-1,1,1,3,4-pentafluoro-N,N-dimethylbut-2-en-2-amine?
(E)-1,1,1,3,4-pentafluoro-N,N-dimethylbut-2-en-2-amine has a molecular weight of 189.13 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1,3,4-pentafluoro-N,N-dimethylbut-2-en-2-amine is sourced from PubChem (CID 155323205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).