(2Z)-1,1,1-trifluoro-N,3,4-trimethyl-N-prop-1-en-2-ylpenta-2,4-dien-2-amine

C11H16F3N — CID 166968781

IUPAC(2Z)-1,1,1-trifluoro-N,3,4-trimethyl-N-prop-1-en-2-ylpenta-2,4-dien-2-amine
SMILESC=C(C)/C(C)=C(\N(C)C(=C)C)C(F)(F)F
InChIInChI=1S/C11H16F3N/c1-7(2)9(5)10(11(12,13)14)15(6)8(3)4/h1,3H2,2,4-6H3/b10-9-
InChIKeyXGGNOEFSBKKNKC-KTKRTIGZSA-N
MW219.25 g/mol
LogP3.86
Rot. Bonds3

About (2Z)-1,1,1-trifluoro-N,3,4-trimethyl-N-prop-1-en-2-ylpenta-2,4-dien-2-amine

(2Z)-1,1,1-trifluoro-N,3,4-trimethyl-N-prop-1-en-2-ylpenta-2,4-dien-2-amine (PubChem CID 166968781) has the molecular formula C11H16F3N and a molecular weight of 219.25 g/mol. Its IUPAC name is (2Z)-1,1,1-trifluoro-N,3,4-trimethyl-N-prop-1-en-2-ylpenta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2Z)-1,1,1-trifluoro-N,3,4-trimethyl-N-prop-1-en-2-ylpenta-2,4-dien-2-amine
PubChem CID166968781
Molecular FormulaC11H16F3N
Molecular Weight219.25 g/mol
Exact Mass219.12
IUPAC Name(2Z)-1,1,1-trifluoro-N,3,4-trimethyl-N-prop-1-en-2-ylpenta-2,4-dien-2-amine
SMILESC=C(C)/C(C)=C(\N(C)C(=C)C)C(F)(F)F
InChIInChI=1S/C11H16F3N/c1-7(2)9(5)10(11(12,13)14)15(6)8(3)4/h1,3H2,2,4-6H3/b10-9-
InChIKeyXGGNOEFSBKKNKC-KTKRTIGZSA-N
XLogP3.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 53.86
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 (2Z)-1,1,1-trifluoro-N,3,4-trimethyl-N-prop-1-en-2-ylpenta-2,4-dien-2-amine?
The IUPAC name of (2Z)-1,1,1-trifluoro-N,3,4-trimethyl-N-prop-1-en-2-ylpenta-2,4-dien-2-amine (CID 166968781) is (2Z)-1,1,1-trifluoro-N,3,4-trimethyl-N-prop-1-en-2-ylpenta-2,4-dien-2-amine.
What is the SMILES notation for (2Z)-1,1,1-trifluoro-N,3,4-trimethyl-N-prop-1-en-2-ylpenta-2,4-dien-2-amine?
The canonical SMILES for (2Z)-1,1,1-trifluoro-N,3,4-trimethyl-N-prop-1-en-2-ylpenta-2,4-dien-2-amine is C=C(C)/C(C)=C(\N(C)C(=C)C)C(F)(F)F.
What is the InChIKey of (2Z)-1,1,1-trifluoro-N,3,4-trimethyl-N-prop-1-en-2-ylpenta-2,4-dien-2-amine?
The InChIKey is XGGNOEFSBKKNKC-KTKRTIGZSA-N. The full InChI is InChI=1S/C11H16F3N/c1-7(2)9(5)10(11(12,13)14)15(6)8(3)4/h1,3H2,2,4-6H3/b10-9-.
What are the key properties of (2Z)-1,1,1-trifluoro-N,3,4-trimethyl-N-prop-1-en-2-ylpenta-2,4-dien-2-amine?
(2Z)-1,1,1-trifluoro-N,3,4-trimethyl-N-prop-1-en-2-ylpenta-2,4-dien-2-amine has a molecular weight of 219.25 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-1,1,1-trifluoro-N,3,4-trimethyl-N-prop-1-en-2-ylpenta-2,4-dien-2-amine is sourced from PubChem (CID 166968781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).