(1E,6Z)-6-chloro-1,8,8-trifluoro-N,7-dimethylocta-1,4,6-trien-2-amine

C10H13ClF3N — CID 143206988

IUPAC(1E,6Z)-6-chloro-1,8,8-trifluoro-N,7-dimethylocta-1,4,6-trien-2-amine
SMILESCN/C(=C/F)CC=C/C(Cl)=C(\C)C(F)F
InChIInChI=1S/C10H13ClF3N/c1-7(10(13)14)9(11)5-3-4-8(6-12)15-2/h3,5-6,10,15H,4H2,1-2H3/b5-3?,8-6+,9-7-
InChIKeyWEZKYZJBCPAOHC-ZHFQBCEFSA-N
MW239.67 g/mol
LogP3.74
Rot. Bonds5

About (1E,6Z)-6-chloro-1,8,8-trifluoro-N,7-dimethylocta-1,4,6-trien-2-amine

(1E,6Z)-6-chloro-1,8,8-trifluoro-N,7-dimethylocta-1,4,6-trien-2-amine (PubChem CID 143206988) has the molecular formula C10H13ClF3N and a molecular weight of 239.67 g/mol. Its IUPAC name is (1E,6Z)-6-chloro-1,8,8-trifluoro-N,7-dimethylocta-1,4,6-trien-2-amine.

Molecular Properties

Compound Name(1E,6Z)-6-chloro-1,8,8-trifluoro-N,7-dimethylocta-1,4,6-trien-2-amine
PubChem CID143206988
Molecular FormulaC10H13ClF3N
Molecular Weight239.67 g/mol
Exact Mass239.07
IUPAC Name(1E,6Z)-6-chloro-1,8,8-trifluoro-N,7-dimethylocta-1,4,6-trien-2-amine
SMILESCN/C(=C/F)CC=C/C(Cl)=C(\C)C(F)F
InChIInChI=1S/C10H13ClF3N/c1-7(10(13)14)9(11)5-3-4-8(6-12)15-2/h3,5-6,10,15H,4H2,1-2H3/b5-3?,8-6+,9-7-
InChIKeyWEZKYZJBCPAOHC-ZHFQBCEFSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.67
LogP ≤ 53.74
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

(3E,5Z)-N-methyl-7-(trifluoromethyl)octa-3,5,7-trien-4-amine
CID 89073825
6-Chloro-2-ethyl-5-(trifluoromethyl)-1,2-dihydropyridine
CID 126670999
2-chloro-6-fluoro-N-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
CID 129296289
(3E)-N-methyl-3-(trifluoromethyl)hexa-1,3,5-trien-2-amine
CID 130377922
(3Z,5Z)-4,7-difluoro-N-methylocta-3,5-dien-3-amine
CID 134365775
(3E,5Z)-5-ethenyl-2-fluoro-N-methylocta-3,5,7-trien-3-amine
CID 139402965
(2E,4Z)-6-chloro-N-methyl-5-(trifluoromethyl)hepta-2,4,6-trien-3-amine;ethane
CID 142143157
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
N-methyl-4-(trifluoromethyl)cyclohepta-1,4,6-trien-1-amine
CID 142993661
ethane;N-methyl-3-(trifluoromethyl)cyclohepta-1,3,6-trien-1-amine
CID 142993668
(3Z)-5-chloro-N-methyl-4-(trifluoromethyl)hexa-1,3,5-trien-2-amine
CID 143206090

Frequently Asked Questions

What is the IUPAC name of (1E,6Z)-6-chloro-1,8,8-trifluoro-N,7-dimethylocta-1,4,6-trien-2-amine?
The IUPAC name of (1E,6Z)-6-chloro-1,8,8-trifluoro-N,7-dimethylocta-1,4,6-trien-2-amine (CID 143206988) is (1E,6Z)-6-chloro-1,8,8-trifluoro-N,7-dimethylocta-1,4,6-trien-2-amine.
What is the SMILES notation for (1E,6Z)-6-chloro-1,8,8-trifluoro-N,7-dimethylocta-1,4,6-trien-2-amine?
The canonical SMILES for (1E,6Z)-6-chloro-1,8,8-trifluoro-N,7-dimethylocta-1,4,6-trien-2-amine is CN/C(=C/F)CC=C/C(Cl)=C(\C)C(F)F.
What is the InChIKey of (1E,6Z)-6-chloro-1,8,8-trifluoro-N,7-dimethylocta-1,4,6-trien-2-amine?
The InChIKey is WEZKYZJBCPAOHC-ZHFQBCEFSA-N. The full InChI is InChI=1S/C10H13ClF3N/c1-7(10(13)14)9(11)5-3-4-8(6-12)15-2/h3,5-6,10,15H,4H2,1-2H3/b5-3?,8-6+,9-7-.
What are the key properties of (1E,6Z)-6-chloro-1,8,8-trifluoro-N,7-dimethylocta-1,4,6-trien-2-amine?
(1E,6Z)-6-chloro-1,8,8-trifluoro-N,7-dimethylocta-1,4,6-trien-2-amine has a molecular weight of 239.67 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,6Z)-6-chloro-1,8,8-trifluoro-N,7-dimethylocta-1,4,6-trien-2-amine is sourced from PubChem (CID 143206988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).