(1Z,3Z)-3-methyl-1-[1-(trifluoromethyl)cyclobutyl]hexa-1,3,5-trien-1-amine

C12H16F3N — CID 89170109

IUPAC(1Z,3Z)-3-methyl-1-[1-(trifluoromethyl)cyclobutyl]hexa-1,3,5-trien-1-amine
SMILESC=C/C=C(C)\C=C(/N)C1(C(F)(F)F)CCC1
InChIInChI=1S/C12H16F3N/c1-3-5-9(2)8-10(16)11(6-4-7-11)12(13,14)15/h3,5,8H,1,4,6-7,16H2,2H3/b9-5-,10-8-
InChIKeyJFLJGDLSIZDFBO-UDRCNDPASA-N
MW231.26 g/mol
LogP3.69
Rot. Bonds3

About (1Z,3Z)-3-methyl-1-[1-(trifluoromethyl)cyclobutyl]hexa-1,3,5-trien-1-amine

(1Z,3Z)-3-methyl-1-[1-(trifluoromethyl)cyclobutyl]hexa-1,3,5-trien-1-amine (PubChem CID 89170109) has the molecular formula C12H16F3N and a molecular weight of 231.26 g/mol. Its IUPAC name is (1Z,3Z)-3-methyl-1-[1-(trifluoromethyl)cyclobutyl]hexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-3-methyl-1-[1-(trifluoromethyl)cyclobutyl]hexa-1,3,5-trien-1-amine
PubChem CID89170109
Molecular FormulaC12H16F3N
Molecular Weight231.26 g/mol
Exact Mass231.12
IUPAC Name(1Z,3Z)-3-methyl-1-[1-(trifluoromethyl)cyclobutyl]hexa-1,3,5-trien-1-amine
SMILESC=C/C=C(C)\C=C(/N)C1(C(F)(F)F)CCC1
InChIInChI=1S/C12H16F3N/c1-3-5-9(2)8-10(16)11(6-4-7-11)12(13,14)15/h3,5,8H,1,4,6-7,16H2,2H3/b9-5-,10-8-
InChIKeyJFLJGDLSIZDFBO-UDRCNDPASA-N
XLogP3.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 53.69
H-Bond Donors ≤ 51
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 (1Z,3Z)-3-methyl-1-[1-(trifluoromethyl)cyclobutyl]hexa-1,3,5-trien-1-amine?
The IUPAC name of (1Z,3Z)-3-methyl-1-[1-(trifluoromethyl)cyclobutyl]hexa-1,3,5-trien-1-amine (CID 89170109) is (1Z,3Z)-3-methyl-1-[1-(trifluoromethyl)cyclobutyl]hexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1Z,3Z)-3-methyl-1-[1-(trifluoromethyl)cyclobutyl]hexa-1,3,5-trien-1-amine?
The canonical SMILES for (1Z,3Z)-3-methyl-1-[1-(trifluoromethyl)cyclobutyl]hexa-1,3,5-trien-1-amine is C=C/C=C(C)\C=C(/N)C1(C(F)(F)F)CCC1.
What is the InChIKey of (1Z,3Z)-3-methyl-1-[1-(trifluoromethyl)cyclobutyl]hexa-1,3,5-trien-1-amine?
The InChIKey is JFLJGDLSIZDFBO-UDRCNDPASA-N. The full InChI is InChI=1S/C12H16F3N/c1-3-5-9(2)8-10(16)11(6-4-7-11)12(13,14)15/h3,5,8H,1,4,6-7,16H2,2H3/b9-5-,10-8-.
What are the key properties of (1Z,3Z)-3-methyl-1-[1-(trifluoromethyl)cyclobutyl]hexa-1,3,5-trien-1-amine?
(1Z,3Z)-3-methyl-1-[1-(trifluoromethyl)cyclobutyl]hexa-1,3,5-trien-1-amine has a molecular weight of 231.26 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-3-methyl-1-[1-(trifluoromethyl)cyclobutyl]hexa-1,3,5-trien-1-amine is sourced from PubChem (CID 89170109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).