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

C11H14F3N — CID 89170121

IUPAC(1Z,3Z)-3-methyl-1-[1-(trifluoromethyl)cyclopropyl]hexa-1,3,5-trien-1-amine
SMILESC=C/C=C(C)\C=C(/N)C1(C(F)(F)F)CC1
InChIInChI=1S/C11H14F3N/c1-3-4-8(2)7-9(15)10(5-6-10)11(12,13)14/h3-4,7H,1,5-6,15H2,2H3/b8-4-,9-7-
InChIKeyQCNRZYMOKBGERJ-CKCLTMHVSA-N
MW217.23 g/mol
LogP3.30
Rot. Bonds3

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

(1Z,3Z)-3-methyl-1-[1-(trifluoromethyl)cyclopropyl]hexa-1,3,5-trien-1-amine (PubChem CID 89170121) has the molecular formula C11H14F3N and a molecular weight of 217.23 g/mol. Its IUPAC name is (1Z,3Z)-3-methyl-1-[1-(trifluoromethyl)cyclopropyl]hexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-3-methyl-1-[1-(trifluoromethyl)cyclopropyl]hexa-1,3,5-trien-1-amine
PubChem CID89170121
Molecular FormulaC11H14F3N
Molecular Weight217.23 g/mol
Exact Mass217.11
IUPAC Name(1Z,3Z)-3-methyl-1-[1-(trifluoromethyl)cyclopropyl]hexa-1,3,5-trien-1-amine
SMILESC=C/C=C(C)\C=C(/N)C1(C(F)(F)F)CC1
InChIInChI=1S/C11H14F3N/c1-3-4-8(2)7-9(15)10(5-6-10)11(12,13)14/h3-4,7H,1,5-6,15H2,2H3/b8-4-,9-7-
InChIKeyQCNRZYMOKBGERJ-CKCLTMHVSA-N
XLogP3.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 53.30
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

(2Z,4Z)-5-ethenyl-1,1,1-trifluoroocta-2,4-dien-2-amine
CID 88963377
(3Z,5Z)-1,1,1-trifluoro-2,2,5-trimethylocta-3,5,7-trien-3-amine
CID 89170111
(2Z,4Z)-5-ethyl-1,1,1-trifluorohepta-2,4,6-trien-2-amine
CID 89284960
3,6-Dimethyl-6-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
CID 129065695
(2E,4E)-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)hepta-2,4,6-trien-2-amine
CID 137495045
(4E,6E)-7-(difluoromethyl)-3,8-dimethylnona-4,6,8-trien-4-amine
CID 146245226
(2Z,4Z,6Z)-1,1,1-trifluoro-4-propan-2-ylocta-2,4,6-trien-2-amine
CID 146379720
5-Methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
CID 155107128
6-Methyl-2,6-bis(trifluoromethyl)cyclohexa-1,3-dien-1-amine
CID 155149466
(2Z,4E)-5-cyclopropyl-6,6,6-trifluorohexa-2,4-dien-2-amine
CID 155402641
2-Methyl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
CID 162584585
(2Z,4E)-4-tert-butyl-1,1,1-trifluorohepta-2,4-dien-2-amine
CID 163496500

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-3-methyl-1-[1-(trifluoromethyl)cyclopropyl]hexa-1,3,5-trien-1-amine?
The IUPAC name of (1Z,3Z)-3-methyl-1-[1-(trifluoromethyl)cyclopropyl]hexa-1,3,5-trien-1-amine (CID 89170121) is (1Z,3Z)-3-methyl-1-[1-(trifluoromethyl)cyclopropyl]hexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1Z,3Z)-3-methyl-1-[1-(trifluoromethyl)cyclopropyl]hexa-1,3,5-trien-1-amine?
The canonical SMILES for (1Z,3Z)-3-methyl-1-[1-(trifluoromethyl)cyclopropyl]hexa-1,3,5-trien-1-amine is C=C/C=C(C)\C=C(/N)C1(C(F)(F)F)CC1.
What is the InChIKey of (1Z,3Z)-3-methyl-1-[1-(trifluoromethyl)cyclopropyl]hexa-1,3,5-trien-1-amine?
The InChIKey is QCNRZYMOKBGERJ-CKCLTMHVSA-N. The full InChI is InChI=1S/C11H14F3N/c1-3-4-8(2)7-9(15)10(5-6-10)11(12,13)14/h3-4,7H,1,5-6,15H2,2H3/b8-4-,9-7-.
What are the key properties of (1Z,3Z)-3-methyl-1-[1-(trifluoromethyl)cyclopropyl]hexa-1,3,5-trien-1-amine?
(1Z,3Z)-3-methyl-1-[1-(trifluoromethyl)cyclopropyl]hexa-1,3,5-trien-1-amine has a molecular weight of 217.23 g/mol, XLogP of 3.30, 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)cyclopropyl]hexa-1,3,5-trien-1-amine is sourced from PubChem (CID 89170121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).