(1Z,3E)-5,5,5-trifluoro-N-methylpenta-1,3-dien-1-amine

C6H8F3N — CID 146510829

IUPAC(1Z,3E)-5,5,5-trifluoro-N-methylpenta-1,3-dien-1-amine
SMILESCN/C=C\C=C\C(F)(F)F
InChIInChI=1S/C6H8F3N/c1-10-5-3-2-4-6(7,8)9/h2-5,10H,1H3/b4-2+,5-3-
InChIKeyPJLUGQDQLHXVNG-HZDAAVBUSA-N
MW151.13 g/mol
LogP1.84
Rot. Bonds2

About (1Z,3E)-5,5,5-trifluoro-N-methylpenta-1,3-dien-1-amine

(1Z,3E)-5,5,5-trifluoro-N-methylpenta-1,3-dien-1-amine (PubChem CID 146510829) has the molecular formula C6H8F3N and a molecular weight of 151.13 g/mol. Its IUPAC name is (1Z,3E)-5,5,5-trifluoro-N-methylpenta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3E)-5,5,5-trifluoro-N-methylpenta-1,3-dien-1-amine
PubChem CID146510829
Molecular FormulaC6H8F3N
Molecular Weight151.13 g/mol
Exact Mass151.06
IUPAC Name(1Z,3E)-5,5,5-trifluoro-N-methylpenta-1,3-dien-1-amine
SMILESCN/C=C\C=C\C(F)(F)F
InChIInChI=1S/C6H8F3N/c1-10-5-3-2-4-6(7,8)9/h2-5,10H,1H3/b4-2+,5-3-
InChIKeyPJLUGQDQLHXVNG-HZDAAVBUSA-N
XLogP1.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.13
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3-Difluoro-1,2-dihydropyridine
CID 18619801
3-fluoro-1H-azepine
CID 86231520
(Z)-N-(2,2-difluoroethyl)prop-1-en-1-amine
CID 87692914
(E)-N-(2,2-difluoroethyl)prop-1-en-1-amine
CID 126738539
(1E)-2-fluoro-N-methylbuta-1,3-dien-1-amine
CID 129130711
(2Z)-1,1-difluoro-N-methylpenta-2,4-dien-2-amine
CID 135234850
(1Z,3E)-N-ethenyl-3-(trifluoromethyl)penta-1,3-dien-1-amine
CID 138628392
(2E)-N-ethenyl-4-fluoropenta-2,4-dien-2-amine
CID 139473335
[(1Z,3Z)-5-fluoro-4-methylpenta-1,3-dienyl]-methylazanium
CID 142969581
(1E,3E,5Z)-4-fluorohepta-1,3,5-trien-1-amine
CID 143349316
(1Z,3Z)-5-fluoro-N-methylpenta-1,3-dien-1-amine
CID 144125941
(2Z,4Z)-1,1,1-trifluoro-N-methylhexa-2,4-dien-2-amine
CID 145332953

Frequently Asked Questions

What is the IUPAC name of (1Z,3E)-5,5,5-trifluoro-N-methylpenta-1,3-dien-1-amine?
The IUPAC name of (1Z,3E)-5,5,5-trifluoro-N-methylpenta-1,3-dien-1-amine (CID 146510829) is (1Z,3E)-5,5,5-trifluoro-N-methylpenta-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3E)-5,5,5-trifluoro-N-methylpenta-1,3-dien-1-amine?
The canonical SMILES for (1Z,3E)-5,5,5-trifluoro-N-methylpenta-1,3-dien-1-amine is CN/C=C\C=C\C(F)(F)F.
What is the InChIKey of (1Z,3E)-5,5,5-trifluoro-N-methylpenta-1,3-dien-1-amine?
The InChIKey is PJLUGQDQLHXVNG-HZDAAVBUSA-N. The full InChI is InChI=1S/C6H8F3N/c1-10-5-3-2-4-6(7,8)9/h2-5,10H,1H3/b4-2+,5-3-.
What are the key properties of (1Z,3E)-5,5,5-trifluoro-N-methylpenta-1,3-dien-1-amine?
(1Z,3E)-5,5,5-trifluoro-N-methylpenta-1,3-dien-1-amine has a molecular weight of 151.13 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-5,5,5-trifluoro-N-methylpenta-1,3-dien-1-amine is sourced from PubChem (CID 146510829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).