(E)-4,4,4-trifluoro-N,N,3-trimethyl-2-prop-1-en-2-ylbut-2-en-1-amine

C10H16F3N — CID 134466317

IUPAC(E)-4,4,4-trifluoro-N,N,3-trimethyl-2-prop-1-en-2-ylbut-2-en-1-amine
SMILESC=C(C)/C(CN(C)C)=C(/C)C(F)(F)F
InChIInChI=1S/C10H16F3N/c1-7(2)9(6-14(4)5)8(3)10(11,12)13/h1,6H2,2-5H3/b9-8-
InChIKeyHGMCILRJZNHBSO-HJWRWDBZSA-N
MW207.24 g/mol
LogP3.00
Rot. Bonds3

About (E)-4,4,4-trifluoro-N,N,3-trimethyl-2-prop-1-en-2-ylbut-2-en-1-amine

(E)-4,4,4-trifluoro-N,N,3-trimethyl-2-prop-1-en-2-ylbut-2-en-1-amine (PubChem CID 134466317) has the molecular formula C10H16F3N and a molecular weight of 207.24 g/mol. Its IUPAC name is (E)-4,4,4-trifluoro-N,N,3-trimethyl-2-prop-1-en-2-ylbut-2-en-1-amine.

Molecular Properties

Compound Name(E)-4,4,4-trifluoro-N,N,3-trimethyl-2-prop-1-en-2-ylbut-2-en-1-amine
PubChem CID134466317
Molecular FormulaC10H16F3N
Molecular Weight207.24 g/mol
Exact Mass207.12
IUPAC Name(E)-4,4,4-trifluoro-N,N,3-trimethyl-2-prop-1-en-2-ylbut-2-en-1-amine
SMILESC=C(C)/C(CN(C)C)=C(/C)C(F)(F)F
InChIInChI=1S/C10H16F3N/c1-7(2)9(6-14(4)5)8(3)10(11,12)13/h1,6H2,2-5H3/b9-8-
InChIKeyHGMCILRJZNHBSO-HJWRWDBZSA-N
XLogP3.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4,4,4-trifluoro-N,N,3-trimethyl-2-prop-1-en-2-ylbut-2-en-1-amine?
The IUPAC name of (E)-4,4,4-trifluoro-N,N,3-trimethyl-2-prop-1-en-2-ylbut-2-en-1-amine (CID 134466317) is (E)-4,4,4-trifluoro-N,N,3-trimethyl-2-prop-1-en-2-ylbut-2-en-1-amine.
What is the SMILES notation for (E)-4,4,4-trifluoro-N,N,3-trimethyl-2-prop-1-en-2-ylbut-2-en-1-amine?
The canonical SMILES for (E)-4,4,4-trifluoro-N,N,3-trimethyl-2-prop-1-en-2-ylbut-2-en-1-amine is C=C(C)/C(CN(C)C)=C(/C)C(F)(F)F.
What is the InChIKey of (E)-4,4,4-trifluoro-N,N,3-trimethyl-2-prop-1-en-2-ylbut-2-en-1-amine?
The InChIKey is HGMCILRJZNHBSO-HJWRWDBZSA-N. The full InChI is InChI=1S/C10H16F3N/c1-7(2)9(6-14(4)5)8(3)10(11,12)13/h1,6H2,2-5H3/b9-8-.
What are the key properties of (E)-4,4,4-trifluoro-N,N,3-trimethyl-2-prop-1-en-2-ylbut-2-en-1-amine?
(E)-4,4,4-trifluoro-N,N,3-trimethyl-2-prop-1-en-2-ylbut-2-en-1-amine has a molecular weight of 207.24 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4,4,4-trifluoro-N,N,3-trimethyl-2-prop-1-en-2-ylbut-2-en-1-amine is sourced from PubChem (CID 134466317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).