(1E,3E)-N,3-dimethyl-4-(trifluoromethyl)cycloocta-1,3,7-trien-1-amine

C11H14F3N — CID 167039148

IUPAC(1E,3E)-N,3-dimethyl-4-(trifluoromethyl)cycloocta-1,3,7-trien-1-amine
SMILESCN/C1=C/C(C)=C(/C(F)(F)F)CCC=C1
InChIInChI=1S/C11H14F3N/c1-8-7-9(15-2)5-3-4-6-10(8)11(12,13)14/h3,5,7,15H,4,6H2,1-2H3/b5-3?,9-7+,10-8+
InChIKeyJDLSJBNPRXYVIU-JEICGLPASA-N
MW217.23 g/mol
LogP3.32
Rot. Bonds1

About (1E,3E)-N,3-dimethyl-4-(trifluoromethyl)cycloocta-1,3,7-trien-1-amine

(1E,3E)-N,3-dimethyl-4-(trifluoromethyl)cycloocta-1,3,7-trien-1-amine (PubChem CID 167039148) has the molecular formula C11H14F3N and a molecular weight of 217.23 g/mol. Its IUPAC name is (1E,3E)-N,3-dimethyl-4-(trifluoromethyl)cycloocta-1,3,7-trien-1-amine.

Molecular Properties

Compound Name(1E,3E)-N,3-dimethyl-4-(trifluoromethyl)cycloocta-1,3,7-trien-1-amine
PubChem CID167039148
Molecular FormulaC11H14F3N
Molecular Weight217.23 g/mol
Exact Mass217.11
IUPAC Name(1E,3E)-N,3-dimethyl-4-(trifluoromethyl)cycloocta-1,3,7-trien-1-amine
SMILESCN/C1=C/C(C)=C(/C(F)(F)F)CCC=C1
InChIInChI=1S/C11H14F3N/c1-8-7-9(15-2)5-3-4-6-10(8)11(12,13)14/h3,5,7,15H,4,6H2,1-2H3/b5-3?,9-7+,10-8+
InChIKeyJDLSJBNPRXYVIU-JEICGLPASA-N
XLogP3.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3E,5Z)-N-methyl-7-(trifluoromethyl)octa-3,5,7-trien-4-amine
CID 89073825
(2Z,4E)-3,5-difluoro-6-methyl-N-prop-2-enylhepta-2,4,6-trien-2-amine
CID 89289612
(2Z,4Z)-1,1,1-trifluoro-N-methyl-4-(trifluoromethyl)octa-2,4-dien-2-amine
CID 117913821
5-fluoro-N,5-dimethylcyclohepta-1,3,6-trien-1-amine
CID 130272610
5-(difluoromethyl)-N-ethenyl-4-ethylcyclohexa-1,5-dien-1-amine
CID 130321083
(3E)-N-methyl-3-(trifluoromethyl)hexa-1,3,5-trien-2-amine
CID 130377922
5-fluoro-N,3-dimethylcyclohepta-1,2,4,6-tetraen-1-amine
CID 134365557
(3Z,5E)-5,8-difluoro-N-methylocta-1,3,5-trien-2-amine
CID 134365647
(2E,4E)-5,7-difluoro-N,6-dimethylhepta-2,4-dien-3-amine
CID 134365754
(3E,5E)-5-(1,2-difluoroethylidene)-4-fluoro-N-methylocta-1,3,7-trien-3-amine
CID 134383256
N-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
CID 142171966
N-methyl-2-(trifluoromethyl)cyclohepta-1,3,6-trien-1-amine
CID 142849700

Frequently Asked Questions

What is the IUPAC name of (1E,3E)-N,3-dimethyl-4-(trifluoromethyl)cycloocta-1,3,7-trien-1-amine?
The IUPAC name of (1E,3E)-N,3-dimethyl-4-(trifluoromethyl)cycloocta-1,3,7-trien-1-amine (CID 167039148) is (1E,3E)-N,3-dimethyl-4-(trifluoromethyl)cycloocta-1,3,7-trien-1-amine.
What is the SMILES notation for (1E,3E)-N,3-dimethyl-4-(trifluoromethyl)cycloocta-1,3,7-trien-1-amine?
The canonical SMILES for (1E,3E)-N,3-dimethyl-4-(trifluoromethyl)cycloocta-1,3,7-trien-1-amine is CN/C1=C/C(C)=C(/C(F)(F)F)CCC=C1.
What is the InChIKey of (1E,3E)-N,3-dimethyl-4-(trifluoromethyl)cycloocta-1,3,7-trien-1-amine?
The InChIKey is JDLSJBNPRXYVIU-JEICGLPASA-N. The full InChI is InChI=1S/C11H14F3N/c1-8-7-9(15-2)5-3-4-6-10(8)11(12,13)14/h3,5,7,15H,4,6H2,1-2H3/b5-3?,9-7+,10-8+.
What are the key properties of (1E,3E)-N,3-dimethyl-4-(trifluoromethyl)cycloocta-1,3,7-trien-1-amine?
(1E,3E)-N,3-dimethyl-4-(trifluoromethyl)cycloocta-1,3,7-trien-1-amine has a molecular weight of 217.23 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-N,3-dimethyl-4-(trifluoromethyl)cycloocta-1,3,7-trien-1-amine is sourced from PubChem (CID 167039148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).