(3E,5E)-2-(trifluoromethyl)deca-1,3,5-triene

C11H15F3 — CID 10888998

IUPAC(3E,5E)-2-(trifluoromethyl)deca-1,3,5-triene
SMILESC=C(/C=C/C=C/CCCC)C(F)(F)F
InChIInChI=1S/C11H15F3/c1-3-4-5-6-7-8-9-10(2)11(12,13)14/h6-9H,2-5H2,1H3/b7-6+,9-8+
InChIKeyQHUAVRJDXHPIQU-BLHCBFLLSA-N
MW204.23 g/mol
LogP4.41
Rot. Bonds5

About (3E,5E)-2-(trifluoromethyl)deca-1,3,5-triene

(3E,5E)-2-(trifluoromethyl)deca-1,3,5-triene (PubChem CID 10888998) has the molecular formula C11H15F3 and a molecular weight of 204.23 g/mol. Its IUPAC name is (3E,5E)-2-(trifluoromethyl)deca-1,3,5-triene.

Molecular Properties

Compound Name(3E,5E)-2-(trifluoromethyl)deca-1,3,5-triene
PubChem CID10888998
Molecular FormulaC11H15F3
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Name(3E,5E)-2-(trifluoromethyl)deca-1,3,5-triene
SMILESC=C(/C=C/C=C/CCCC)C(F)(F)F
InChIInChI=1S/C11H15F3/c1-3-4-5-6-7-8-9-10(2)11(12,13)14/h6-9H,2-5H2,1H3/b7-6+,9-8+
InChIKeyQHUAVRJDXHPIQU-BLHCBFLLSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2,3-dimethyltrideca-2,4,6,8-tetraene
CID 173035438
(5E,7Z)-13-methylideneheptadeca-5,7-diene
CID 57162564
1,1,1-trifluorohept-2-ene
CID 2782636
(1E)-octa-1,3-dien-1-ol
CID 154003406
(3E,5E)-deca-3,5-dien-1-ol
CID 118460601
(5E,7E)-hexadeca-5,7-diene
CID 13032294
(5Z,7Z)-pentadeca-5,7-diene
CID 14270938
(5Z,7Z)-dodeca-5,7-dien-1-ol
CID 5365645
triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene
CID 91195237
(5E,7E)-dodeca-2,5,7-trien-4-ol
CID 86643741
2,2-difluoro-3-methyldeca-3,5-diene
CID 123813972
(7E,9E)-tetradeca-7,9-dien-6-one
CID 102586643

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-2-(trifluoromethyl)deca-1,3,5-triene?
The IUPAC name of (3E,5E)-2-(trifluoromethyl)deca-1,3,5-triene (CID 10888998) is (3E,5E)-2-(trifluoromethyl)deca-1,3,5-triene.
What is the SMILES notation for (3E,5E)-2-(trifluoromethyl)deca-1,3,5-triene?
The canonical SMILES for (3E,5E)-2-(trifluoromethyl)deca-1,3,5-triene is C=C(/C=C/C=C/CCCC)C(F)(F)F.
What is the InChIKey of (3E,5E)-2-(trifluoromethyl)deca-1,3,5-triene?
The InChIKey is QHUAVRJDXHPIQU-BLHCBFLLSA-N. The full InChI is InChI=1S/C11H15F3/c1-3-4-5-6-7-8-9-10(2)11(12,13)14/h6-9H,2-5H2,1H3/b7-6+,9-8+.
What are the key properties of (3E,5E)-2-(trifluoromethyl)deca-1,3,5-triene?
(3E,5E)-2-(trifluoromethyl)deca-1,3,5-triene has a molecular weight of 204.23 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-2-(trifluoromethyl)deca-1,3,5-triene is sourced from PubChem (CID 10888998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).