(1E,3Z)-3-propan-2-yl-2-(trifluoromethyl)hepta-1,3-dien-1-amine

C11H18F3N — CID 131999217

IUPAC(1E,3Z)-3-propan-2-yl-2-(trifluoromethyl)hepta-1,3-dien-1-amine
SMILESCCC/C=C(/C(C)C)\C(=C/N)\C(F)(F)F
InChIInChI=1S/C11H18F3N/c1-4-5-6-9(8(2)3)10(7-15)11(12,13)14/h6-8H,4-5,15H2,1-3H3/b9-6-,10-7+
InChIKeyRHIZQPITXMVIGL-PCCLLEMOSA-N
MW221.26 g/mol
LogP4.60
Rot. Bonds4

About (1E,3Z)-3-propan-2-yl-2-(trifluoromethyl)hepta-1,3-dien-1-amine

(1E,3Z)-3-propan-2-yl-2-(trifluoromethyl)hepta-1,3-dien-1-amine (PubChem CID 131999217) has the molecular formula C11H18F3N and a molecular weight of 221.26 g/mol. Its IUPAC name is (1E,3Z)-3-propan-2-yl-2-(trifluoromethyl)hepta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E,3Z)-3-propan-2-yl-2-(trifluoromethyl)hepta-1,3-dien-1-amine
PubChem CID131999217
Molecular FormulaC11H18F3N
Molecular Weight221.26 g/mol
Exact Mass221.14
IUPAC Name(1E,3Z)-3-propan-2-yl-2-(trifluoromethyl)hepta-1,3-dien-1-amine
SMILESCCC/C=C(/C(C)C)\C(=C/N)\C(F)(F)F
InChIInChI=1S/C11H18F3N/c1-4-5-6-9(8(2)3)10(7-15)11(12,13)14/h6-8H,4-5,15H2,1-3H3/b9-6-,10-7+
InChIKeyRHIZQPITXMVIGL-PCCLLEMOSA-N
XLogP4.60
TPSA26.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity249

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1Z,3E)-6-methyl-5-methylidene-3-(trifluoromethyl)hepta-1,3-dien-1-amine
CID 89033831
(E)-2-(3,3-difluoropropyl)-5-methyl-4-methylidenehex-2-en-1-amine
CID 124095828
(1Z,3Z)-7-fluoro-2,5-dimethylocta-1,3-dien-1-amine
CID 130384137
[4-[(E)-hept-3-enyl]-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methanamine
CID 131981650
(1E,3Z,5Z)-8-(4,4-difluoro-3-methylidenecyclohexa-1,5-dien-1-yl)-3-ethylocta-1,3,5-trien-1-amine
CID 131996018
5-Propan-2-yl-4-(trifluoromethyl)-1,2-dihydropyridine
CID 138551284
(1E,3Z,5Z)-3-propan-2-yl-2-(trifluoromethyl)hepta-1,3,5-trien-1-amine
CID 138607005
(1Z,3E,5Z)-4-fluoro-3-propan-2-ylhepta-1,3,5-trien-1-amine
CID 139543830
(1Z,3E)-2-ethyl-3-[(Z)-3-fluoroprop-1-enyl]hexa-1,3,5-trien-1-amine
CID 142246394
(1E,3Z,5Z)-2-fluoro-4-propan-2-ylhepta-1,3,5-trien-1-amine
CID 146220762
(1Z,3E)-2-ethyl-3-(trifluoromethyl)hepta-1,3-dien-1-amine
CID 155088608
(1E,3E)-5-ethyl-4-fluoro-6,6-dimethyl-2-(trifluoromethyl)hepta-1,3-dien-1-amine
CID 155261756

Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-3-propan-2-yl-2-(trifluoromethyl)hepta-1,3-dien-1-amine?
The IUPAC name of (1E,3Z)-3-propan-2-yl-2-(trifluoromethyl)hepta-1,3-dien-1-amine (CID 131999217) is (1E,3Z)-3-propan-2-yl-2-(trifluoromethyl)hepta-1,3-dien-1-amine.
What is the SMILES notation for (1E,3Z)-3-propan-2-yl-2-(trifluoromethyl)hepta-1,3-dien-1-amine?
The canonical SMILES for (1E,3Z)-3-propan-2-yl-2-(trifluoromethyl)hepta-1,3-dien-1-amine is CCC/C=C(/C(C)C)\C(=C/N)\C(F)(F)F.
What is the InChIKey of (1E,3Z)-3-propan-2-yl-2-(trifluoromethyl)hepta-1,3-dien-1-amine?
The InChIKey is RHIZQPITXMVIGL-PCCLLEMOSA-N. The full InChI is InChI=1S/C11H18F3N/c1-4-5-6-9(8(2)3)10(7-15)11(12,13)14/h6-8H,4-5,15H2,1-3H3/b9-6-,10-7+.
What are the key properties of (1E,3Z)-3-propan-2-yl-2-(trifluoromethyl)hepta-1,3-dien-1-amine?
(1E,3Z)-3-propan-2-yl-2-(trifluoromethyl)hepta-1,3-dien-1-amine has a molecular weight of 221.26 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-3-propan-2-yl-2-(trifluoromethyl)hepta-1,3-dien-1-amine is sourced from PubChem (CID 131999217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).