(3Z,5Z)-1-fluoro-2,2,5-trimethylocta-3,5,7-trien-3-amine

C11H18FN — CID 89170034

IUPAC(3Z,5Z)-1-fluoro-2,2,5-trimethylocta-3,5,7-trien-3-amine
SMILESC=C/C=C(C)\C=C(/N)C(C)(C)CF
InChIInChI=1S/C11H18FN/c1-5-6-9(2)7-10(13)11(3,4)8-12/h5-7H,1,8,13H2,2-4H3/b9-6-,10-7-
InChIKeyJQLYNPWZIJQMQR-LFPVQMOXSA-N
MW183.27 g/mol
LogP2.96
Rot. Bonds4

About (3Z,5Z)-1-fluoro-2,2,5-trimethylocta-3,5,7-trien-3-amine

(3Z,5Z)-1-fluoro-2,2,5-trimethylocta-3,5,7-trien-3-amine (PubChem CID 89170034) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is (3Z,5Z)-1-fluoro-2,2,5-trimethylocta-3,5,7-trien-3-amine.

Molecular Properties

Compound Name(3Z,5Z)-1-fluoro-2,2,5-trimethylocta-3,5,7-trien-3-amine
PubChem CID89170034
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC Name(3Z,5Z)-1-fluoro-2,2,5-trimethylocta-3,5,7-trien-3-amine
SMILESC=C/C=C(C)\C=C(/N)C(C)(C)CF
InChIInChI=1S/C11H18FN/c1-5-6-9(2)7-10(13)11(3,4)8-12/h5-7H,1,8,13H2,2-4H3/b9-6-,10-7-
InChIKeyJQLYNPWZIJQMQR-LFPVQMOXSA-N
XLogP2.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 52.96
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)-1,1,1-trifluoro-5-methylhepta-2,4,6-trien-2-amine
CID 88558934
(3E,5Z)-2-fluoro-5-methylhepta-1,3,5-trien-4-amine
CID 88575399
(3E,5E)-5-fluoroocta-3,5,7-trien-3-amine
CID 88905364
(2Z,4Z)-5-ethenyl-1,1,1-trifluoroocta-2,4-dien-2-amine
CID 88963377
(3E,5Z)-7-(trifluoromethyl)octa-3,5,7-trien-4-amine
CID 89073720
(2Z,4E)-5-methyl-4-(trifluoromethyl)hepta-2,4,6-trien-2-amine
CID 89140162
(2E,4Z)-6-(trifluoromethyl)hepta-2,4,6-trien-3-amine
CID 89153760
(3Z,5Z)-1,1,1-trifluoro-2,2,5-trimethylocta-3,5,7-trien-3-amine
CID 89170111
(1Z)-1-[(6Z)-4-fluoro-6-(2-methylidenebutylidene)cyclohexa-2,4-dien-1-ylidene]-2-methylpropan-1-amine
CID 89202280
(3E,5Z)-4-(difluoromethyl)octa-3,5,7-trien-3-amine
CID 89205392
(3E,5E)-6-fluoro-5-methylhepta-1,3,5-trien-3-amine
CID 89214934
(2Z,4Z)-5-ethyl-1,1,1-trifluorohepta-2,4,6-trien-2-amine
CID 89284960

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-1-fluoro-2,2,5-trimethylocta-3,5,7-trien-3-amine?
The IUPAC name of (3Z,5Z)-1-fluoro-2,2,5-trimethylocta-3,5,7-trien-3-amine (CID 89170034) is (3Z,5Z)-1-fluoro-2,2,5-trimethylocta-3,5,7-trien-3-amine.
What is the SMILES notation for (3Z,5Z)-1-fluoro-2,2,5-trimethylocta-3,5,7-trien-3-amine?
The canonical SMILES for (3Z,5Z)-1-fluoro-2,2,5-trimethylocta-3,5,7-trien-3-amine is C=C/C=C(C)\C=C(/N)C(C)(C)CF.
What is the InChIKey of (3Z,5Z)-1-fluoro-2,2,5-trimethylocta-3,5,7-trien-3-amine?
The InChIKey is JQLYNPWZIJQMQR-LFPVQMOXSA-N. The full InChI is InChI=1S/C11H18FN/c1-5-6-9(2)7-10(13)11(3,4)8-12/h5-7H,1,8,13H2,2-4H3/b9-6-,10-7-.
What are the key properties of (3Z,5Z)-1-fluoro-2,2,5-trimethylocta-3,5,7-trien-3-amine?
(3Z,5Z)-1-fluoro-2,2,5-trimethylocta-3,5,7-trien-3-amine has a molecular weight of 183.27 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-1-fluoro-2,2,5-trimethylocta-3,5,7-trien-3-amine is sourced from PubChem (CID 89170034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).