(3Z,5Z)-5-methyl-N-(trifluoromethyl)octa-3,5,7-trien-2-amine

C10H14F3N — CID 162543911

IUPAC(3Z,5Z)-5-methyl-N-(trifluoromethyl)octa-3,5,7-trien-2-amine
SMILESC=C/C=C(C)\C=C/C(C)NC(F)(F)F
InChIInChI=1S/C10H14F3N/c1-4-5-8(2)6-7-9(3)14-10(11,12)13/h4-7,9,14H,1H2,2-3H3/b7-6-,8-5-
InChIKeyVKNKCTPLYUQHBT-HSHIGALWSA-N
MW205.22 g/mol
LogP3.17
Rot. Bonds4

About (3Z,5Z)-5-methyl-N-(trifluoromethyl)octa-3,5,7-trien-2-amine

(3Z,5Z)-5-methyl-N-(trifluoromethyl)octa-3,5,7-trien-2-amine (PubChem CID 162543911) has the molecular formula C10H14F3N and a molecular weight of 205.22 g/mol. Its IUPAC name is (3Z,5Z)-5-methyl-N-(trifluoromethyl)octa-3,5,7-trien-2-amine.

Molecular Properties

Compound Name(3Z,5Z)-5-methyl-N-(trifluoromethyl)octa-3,5,7-trien-2-amine
PubChem CID162543911
Molecular FormulaC10H14F3N
Molecular Weight205.22 g/mol
Exact Mass205.11
IUPAC Name(3Z,5Z)-5-methyl-N-(trifluoromethyl)octa-3,5,7-trien-2-amine
SMILESC=C/C=C(C)\C=C/C(C)NC(F)(F)F
InChIInChI=1S/C10H14F3N/c1-4-5-8(2)6-7-9(3)14-10(11,12)13/h4-7,9,14H,1H2,2-3H3/b7-6-,8-5-
InChIKeyVKNKCTPLYUQHBT-HSHIGALWSA-N
XLogP3.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3Z,5Z)-5-methyl-N-(trifluoromethyl)octa-3,5,7-trien-2-amine with MolForge

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Related Compounds

2-(Cyclopentadienyl)aminohexafluoropropane
CID 168266424
4-fluoro-N,2-dimethylcyclohexa-2,4-dien-1-amine
CID 68241956
(2E,3E)-2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine
CID 88224148
(3E,5Z)-6-ethenyl-9,9-difluoro-3-methyldeca-3,5-dien-2-amine
CID 88998055
(3E,5Z)-N-methyl-7-(trifluoromethyl)octa-3,5,7-trien-4-amine
CID 89073825
(2E)-2-[(Z)-but-2-en-2-yl]-N-methyl-4-(trifluoromethyl)penta-2,4-dien-1-amine
CID 89228068
(2Z,4Z,6Z)-2-methyl-3-(trifluoromethyl)octa-2,4,6-trien-1-amine
CID 89270021
(2Z,4E,6Z)-3-fluoro-5-(trifluoromethyl)octa-2,4,6-trien-1-amine
CID 89270489
(2Z,4E)-3,5-difluoro-6-methyl-N-prop-2-enylhepta-2,4,6-trien-2-amine
CID 89289612
(1E,3Z)-N,5-dimethyl-2-(trifluoromethyl)hexa-1,3,5-trien-1-amine
CID 89302512
(2E,4Z)-3-(trifluoromethyl)hepta-2,4,6-trien-1-amine
CID 89371600
1-[4-(Trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethanamine
CID 89385189

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-5-methyl-N-(trifluoromethyl)octa-3,5,7-trien-2-amine?
The IUPAC name of (3Z,5Z)-5-methyl-N-(trifluoromethyl)octa-3,5,7-trien-2-amine (CID 162543911) is (3Z,5Z)-5-methyl-N-(trifluoromethyl)octa-3,5,7-trien-2-amine.
What is the SMILES notation for (3Z,5Z)-5-methyl-N-(trifluoromethyl)octa-3,5,7-trien-2-amine?
The canonical SMILES for (3Z,5Z)-5-methyl-N-(trifluoromethyl)octa-3,5,7-trien-2-amine is C=C/C=C(C)\C=C/C(C)NC(F)(F)F.
What is the InChIKey of (3Z,5Z)-5-methyl-N-(trifluoromethyl)octa-3,5,7-trien-2-amine?
The InChIKey is VKNKCTPLYUQHBT-HSHIGALWSA-N. The full InChI is InChI=1S/C10H14F3N/c1-4-5-8(2)6-7-9(3)14-10(11,12)13/h4-7,9,14H,1H2,2-3H3/b7-6-,8-5-.
What are the key properties of (3Z,5Z)-5-methyl-N-(trifluoromethyl)octa-3,5,7-trien-2-amine?
(3Z,5Z)-5-methyl-N-(trifluoromethyl)octa-3,5,7-trien-2-amine has a molecular weight of 205.22 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-5-methyl-N-(trifluoromethyl)octa-3,5,7-trien-2-amine is sourced from PubChem (CID 162543911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).