(4Z)-7,7,7-trifluoro-N,N,2,6-tetramethylhepta-1,4-dien-3-amine

C11H18F3N — CID 163696649

IUPAC(4Z)-7,7,7-trifluoro-N,N,2,6-tetramethylhepta-1,4-dien-3-amine
SMILESC=C(C)C(/C=C\C(C)C(F)(F)F)N(C)C
InChIInChI=1S/C11H18F3N/c1-8(2)10(15(4)5)7-6-9(3)11(12,13)14/h6-7,9-10H,1H2,2-5H3/b7-6-
InChIKeyJXNLOPUSODPXGH-SREVYHEPSA-N
MW221.27 g/mol
LogP3.25
Rot. Bonds4

About (4Z)-7,7,7-trifluoro-N,N,2,6-tetramethylhepta-1,4-dien-3-amine

(4Z)-7,7,7-trifluoro-N,N,2,6-tetramethylhepta-1,4-dien-3-amine (PubChem CID 163696649) has the molecular formula C11H18F3N and a molecular weight of 221.27 g/mol. Its IUPAC name is (4Z)-7,7,7-trifluoro-N,N,2,6-tetramethylhepta-1,4-dien-3-amine.

Molecular Properties

Compound Name(4Z)-7,7,7-trifluoro-N,N,2,6-tetramethylhepta-1,4-dien-3-amine
PubChem CID163696649
Molecular FormulaC11H18F3N
Molecular Weight221.27 g/mol
Exact Mass221.14
IUPAC Name(4Z)-7,7,7-trifluoro-N,N,2,6-tetramethylhepta-1,4-dien-3-amine
SMILESC=C(C)C(/C=C\C(C)C(F)(F)F)N(C)C
InChIInChI=1S/C11H18F3N/c1-8(2)10(15(4)5)7-6-9(3)11(12,13)14/h6-7,9-10H,1H2,2-5H3/b7-6-
InChIKeyJXNLOPUSODPXGH-SREVYHEPSA-N
XLogP3.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z)-7,7,7-trifluoro-N,N,2,6-tetramethylhepta-1,4-dien-3-amine?
The IUPAC name of (4Z)-7,7,7-trifluoro-N,N,2,6-tetramethylhepta-1,4-dien-3-amine (CID 163696649) is (4Z)-7,7,7-trifluoro-N,N,2,6-tetramethylhepta-1,4-dien-3-amine.
What is the SMILES notation for (4Z)-7,7,7-trifluoro-N,N,2,6-tetramethylhepta-1,4-dien-3-amine?
The canonical SMILES for (4Z)-7,7,7-trifluoro-N,N,2,6-tetramethylhepta-1,4-dien-3-amine is C=C(C)C(/C=C\C(C)C(F)(F)F)N(C)C.
What is the InChIKey of (4Z)-7,7,7-trifluoro-N,N,2,6-tetramethylhepta-1,4-dien-3-amine?
The InChIKey is JXNLOPUSODPXGH-SREVYHEPSA-N. The full InChI is InChI=1S/C11H18F3N/c1-8(2)10(15(4)5)7-6-9(3)11(12,13)14/h6-7,9-10H,1H2,2-5H3/b7-6-.
What are the key properties of (4Z)-7,7,7-trifluoro-N,N,2,6-tetramethylhepta-1,4-dien-3-amine?
(4Z)-7,7,7-trifluoro-N,N,2,6-tetramethylhepta-1,4-dien-3-amine has a molecular weight of 221.27 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-7,7,7-trifluoro-N,N,2,6-tetramethylhepta-1,4-dien-3-amine is sourced from PubChem (CID 163696649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).