(3Z,5Z)-5-(3,3,3-trifluoropropoxy)octa-3,5-dien-2-amine

C11H18F3NO — CID 163869876

IUPAC(3Z,5Z)-5-(3,3,3-trifluoropropoxy)octa-3,5-dien-2-amine
SMILESCC/C=C(/C=C\C(C)N)OCCC(F)(F)F
InChIInChI=1S/C11H18F3NO/c1-3-4-10(6-5-9(2)15)16-8-7-11(12,13)14/h4-6,9H,3,7-8,15H2,1-2H3/b6-5-,10-4-
InChIKeyPJWFNNCZYXAOGL-ZQWSEWHOSA-N
MW237.26 g/mol
LogP3.15
Rot. Bonds6

About (3Z,5Z)-5-(3,3,3-trifluoropropoxy)octa-3,5-dien-2-amine

(3Z,5Z)-5-(3,3,3-trifluoropropoxy)octa-3,5-dien-2-amine (PubChem CID 163869876) has the molecular formula C11H18F3NO and a molecular weight of 237.26 g/mol. Its IUPAC name is (3Z,5Z)-5-(3,3,3-trifluoropropoxy)octa-3,5-dien-2-amine.

Molecular Properties

Compound Name(3Z,5Z)-5-(3,3,3-trifluoropropoxy)octa-3,5-dien-2-amine
PubChem CID163869876
Molecular FormulaC11H18F3NO
Molecular Weight237.26 g/mol
Exact Mass237.13
IUPAC Name(3Z,5Z)-5-(3,3,3-trifluoropropoxy)octa-3,5-dien-2-amine
SMILESCC/C=C(/C=C\C(C)N)OCCC(F)(F)F
InChIInChI=1S/C11H18F3NO/c1-3-4-10(6-5-9(2)15)16-8-7-11(12,13)14/h4-6,9H,3,7-8,15H2,1-2H3/b6-5-,10-4-
InChIKeyPJWFNNCZYXAOGL-ZQWSEWHOSA-N
XLogP3.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-[4-(2,2,2-Trifluoroethoxy)cyclohexa-1,5-dien-1-yl]ethanamine
CID 68097267
(3Z,5E)-6-(2-fluoro-2-methylpropoxy)octa-3,5,7-triene-2,3-diamine
CID 88998208
(3E)-5-(2,2-difluoropropoxy)-3-(2-methylprop-1-enyl)hepta-3,5,6-trien-2-amine
CID 124095375
(4Z,6E)-7-(2,2-difluoroethoxy)-4-methylnona-4,6,8-trien-2-amine
CID 124095796
3-(Trifluoromethoxy)cyclohexa-2,4-dien-1-amine
CID 130322352
4-(difluoromethoxy)-N-methylcyclohexa-2,4-dien-1-amine
CID 134365782
2,2-difluoro-1-(2-methyl-2H-pyran-6-yl)but-3-en-1-amine
CID 143080518
(1S)-2,2,2-trifluoro-1-(5-methoxycyclohepta-1,4,6-trien-1-yl)ethanamine
CID 143771145
4-(Trifluoromethoxy)cyclohexa-2,4-dien-1-amine
CID 148279831
(2Z,4E,6Z)-6-ethoxy-8,8,9-trifluoronona-2,4,6-trien-4-amine
CID 155442227
(2E,4Z,6Z)-4-(2-ethoxyethoxy)-5-fluoronona-2,4,6-trien-1-amine
CID 155485579
(3E,5Z)-3-methyl-7-(trifluoromethoxy)octa-3,5,7-trien-2-amine
CID 162578637

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-5-(3,3,3-trifluoropropoxy)octa-3,5-dien-2-amine?
The IUPAC name of (3Z,5Z)-5-(3,3,3-trifluoropropoxy)octa-3,5-dien-2-amine (CID 163869876) is (3Z,5Z)-5-(3,3,3-trifluoropropoxy)octa-3,5-dien-2-amine.
What is the SMILES notation for (3Z,5Z)-5-(3,3,3-trifluoropropoxy)octa-3,5-dien-2-amine?
The canonical SMILES for (3Z,5Z)-5-(3,3,3-trifluoropropoxy)octa-3,5-dien-2-amine is CC/C=C(/C=C\C(C)N)OCCC(F)(F)F.
What is the InChIKey of (3Z,5Z)-5-(3,3,3-trifluoropropoxy)octa-3,5-dien-2-amine?
The InChIKey is PJWFNNCZYXAOGL-ZQWSEWHOSA-N. The full InChI is InChI=1S/C11H18F3NO/c1-3-4-10(6-5-9(2)15)16-8-7-11(12,13)14/h4-6,9H,3,7-8,15H2,1-2H3/b6-5-,10-4-.
What are the key properties of (3Z,5Z)-5-(3,3,3-trifluoropropoxy)octa-3,5-dien-2-amine?
(3Z,5Z)-5-(3,3,3-trifluoropropoxy)octa-3,5-dien-2-amine has a molecular weight of 237.26 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-5-(3,3,3-trifluoropropoxy)octa-3,5-dien-2-amine is sourced from PubChem (CID 163869876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).