(2Z,4Z)-1,1,1-trifluoro-5-methylhepta-2,4,6-trien-2-amine

C8H10F3N — CID 88558934

IUPAC(2Z,4Z)-1,1,1-trifluoro-5-methylhepta-2,4,6-trien-2-amine
SMILESC=C/C(C)=C\C=C(/N)C(F)(F)F
InChIInChI=1S/C8H10F3N/c1-3-6(2)4-5-7(12)8(9,10)11/h3-5H,1,12H2,2H3/b6-4-,7-5-
InChIKeyTUAOICUBKWACLB-PEPZGXQESA-N
MW177.17 g/mol
LogP2.52
Rot. Bonds2

About (2Z,4Z)-1,1,1-trifluoro-5-methylhepta-2,4,6-trien-2-amine

(2Z,4Z)-1,1,1-trifluoro-5-methylhepta-2,4,6-trien-2-amine (PubChem CID 88558934) has the molecular formula C8H10F3N and a molecular weight of 177.17 g/mol. Its IUPAC name is (2Z,4Z)-1,1,1-trifluoro-5-methylhepta-2,4,6-trien-2-amine.

Molecular Properties

Compound Name(2Z,4Z)-1,1,1-trifluoro-5-methylhepta-2,4,6-trien-2-amine
PubChem CID88558934
Molecular FormulaC8H10F3N
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC Name(2Z,4Z)-1,1,1-trifluoro-5-methylhepta-2,4,6-trien-2-amine
SMILESC=C/C(C)=C\C=C(/N)C(F)(F)F
InChIInChI=1S/C8H10F3N/c1-3-6(2)4-5-7(12)8(9,10)11/h3-5H,1,12H2,2H3/b6-4-,7-5-
InChIKeyTUAOICUBKWACLB-PEPZGXQESA-N
XLogP2.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 52.52
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

(3Z,5E)-7,7,7-trifluoro-3-methylhepta-1,3,5-triene
CID 89192283
(Z)-but-2-ene;(3E,5Z)-3,6-dimethylocta-1,3,5,7-tetraene
CID 163402506
(3Z,5E)-9-fluoro-3,6,9-trimethyldeca-1,3,5-triene
CID 167003915
(3E)-3-methylhexa-1,3,5-triene
CID 5367380
(3E,5E)-7,7-difluoro-3,6-dimethylhepta-1,3,5-triene
CID 134447442
(3Z,5Z)-8,8,8-trifluoro-3-methylocta-1,3,5-triene
CID 142246512
(3E,5Z)-3,6-dimethylocta-3,5,7-trien-2-amine
CID 88998044
(3Z,5E)-8,8,8-trifluoro-3,6-dimethyl-7-nitrosoocta-1,3,5-triene
CID 129120316
fluoroform;(3Z)-3-methylhexa-1,3,5-triene
CID 142106535
(3Z)-3,6-dimethylhepta-1,3,5-triene;ethane;2-methylprop-1-ene
CID 145084506
ethane;(Z)-1,1,1-trifluoro-4-iminobut-2-en-2-amine
CID 162431356
(E)-[(3Z)-3,6-dimethylocta-3,5,7-trien-2-ylidene]hydrazine
CID 91028971

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-1,1,1-trifluoro-5-methylhepta-2,4,6-trien-2-amine?
The IUPAC name of (2Z,4Z)-1,1,1-trifluoro-5-methylhepta-2,4,6-trien-2-amine (CID 88558934) is (2Z,4Z)-1,1,1-trifluoro-5-methylhepta-2,4,6-trien-2-amine.
What is the SMILES notation for (2Z,4Z)-1,1,1-trifluoro-5-methylhepta-2,4,6-trien-2-amine?
The canonical SMILES for (2Z,4Z)-1,1,1-trifluoro-5-methylhepta-2,4,6-trien-2-amine is C=C/C(C)=C\C=C(/N)C(F)(F)F.
What is the InChIKey of (2Z,4Z)-1,1,1-trifluoro-5-methylhepta-2,4,6-trien-2-amine?
The InChIKey is TUAOICUBKWACLB-PEPZGXQESA-N. The full InChI is InChI=1S/C8H10F3N/c1-3-6(2)4-5-7(12)8(9,10)11/h3-5H,1,12H2,2H3/b6-4-,7-5-.
What are the key properties of (2Z,4Z)-1,1,1-trifluoro-5-methylhepta-2,4,6-trien-2-amine?
(2Z,4Z)-1,1,1-trifluoro-5-methylhepta-2,4,6-trien-2-amine has a molecular weight of 177.17 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-1,1,1-trifluoro-5-methylhepta-2,4,6-trien-2-amine is sourced from PubChem (CID 88558934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).