1,1,1,2,3-pentafluoro-N,N-dimethylbut-3-en-2-amine

C6H8F5N — CID 129207749

IUPAC1,1,1,2,3-pentafluoro-N,N-dimethylbut-3-en-2-amine
SMILESC=C(F)C(F)(N(C)C)C(F)(F)F
InChIInChI=1S/C6H8F5N/c1-4(7)5(8,12(2)3)6(9,10)11/h1H2,2-3H3
InChIKeyITVGBJHJUXONKH-UHFFFAOYSA-N
MW189.13 g/mol
LogP2.26
Rot. Bonds2

About 1,1,1,2,3-pentafluoro-N,N-dimethylbut-3-en-2-amine

1,1,1,2,3-pentafluoro-N,N-dimethylbut-3-en-2-amine (PubChem CID 129207749) has the molecular formula C6H8F5N and a molecular weight of 189.13 g/mol. Its IUPAC name is 1,1,1,2,3-pentafluoro-N,N-dimethylbut-3-en-2-amine.

Molecular Properties

Compound Name1,1,1,2,3-pentafluoro-N,N-dimethylbut-3-en-2-amine
PubChem CID129207749
Molecular FormulaC6H8F5N
Molecular Weight189.13 g/mol
Exact Mass189.06
IUPAC Name1,1,1,2,3-pentafluoro-N,N-dimethylbut-3-en-2-amine
SMILESC=C(F)C(F)(N(C)C)C(F)(F)F
InChIInChI=1S/C6H8F5N/c1-4(7)5(8,12(2)3)6(9,10)11/h1H2,2-3H3
InChIKeyITVGBJHJUXONKH-UHFFFAOYSA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3-pentafluoro-N,N-dimethylbut-3-en-2-amine?
The IUPAC name of 1,1,1,2,3-pentafluoro-N,N-dimethylbut-3-en-2-amine (CID 129207749) is 1,1,1,2,3-pentafluoro-N,N-dimethylbut-3-en-2-amine.
What is the SMILES notation for 1,1,1,2,3-pentafluoro-N,N-dimethylbut-3-en-2-amine?
The canonical SMILES for 1,1,1,2,3-pentafluoro-N,N-dimethylbut-3-en-2-amine is C=C(F)C(F)(N(C)C)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3-pentafluoro-N,N-dimethylbut-3-en-2-amine?
The InChIKey is ITVGBJHJUXONKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F5N/c1-4(7)5(8,12(2)3)6(9,10)11/h1H2,2-3H3.
What are the key properties of 1,1,1,2,3-pentafluoro-N,N-dimethylbut-3-en-2-amine?
1,1,1,2,3-pentafluoro-N,N-dimethylbut-3-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 1,1,1,2,3-pentafluoro-N,N-dimethylbut-3-en-2-amine is sourced from PubChem (CID 129207749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).