fluoroform;(3Z)-3-methylhexa-1,3,5-triene

C8H11F3 — CID 142106535

IUPACfluoroform;(3Z)-3-methylhexa-1,3,5-triene
SMILESC=C/C=C(/C)C=C.FC(F)F
InChIInChI=1S/C7H10.CHF3/c1-4-6-7(3)5-2;2-1(3)4/h4-6H,1-2H2,3H3;1H/b7-6-;
InChIKeyPFCCSRCEYJHDNV-NAFXZHHSSA-N
MW164.17 g/mol
LogP3.48
Rot. Bonds2

About fluoroform;(3Z)-3-methylhexa-1,3,5-triene

fluoroform;(3Z)-3-methylhexa-1,3,5-triene (PubChem CID 142106535) has the molecular formula C8H11F3 and a molecular weight of 164.17 g/mol. Its IUPAC name is fluoroform;(3Z)-3-methylhexa-1,3,5-triene.

Molecular Properties

Compound Namefluoroform;(3Z)-3-methylhexa-1,3,5-triene
PubChem CID142106535
Molecular FormulaC8H11F3
Molecular Weight164.17 g/mol
Exact Mass164.08
IUPAC Namefluoroform;(3Z)-3-methylhexa-1,3,5-triene
SMILESC=C/C=C(/C)C=C.FC(F)F
InChIInChI=1S/C7H10.CHF3/c1-4-6-7(3)5-2;2-1(3)4/h4-6H,1-2H2,3H3;1H/b7-6-;
InChIKeyPFCCSRCEYJHDNV-NAFXZHHSSA-N
XLogP3.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3E)-3-methylhexa-1,3,5-triene
CID 5367380
ethane;ethene;(3Z)-3-methylhexa-1,3,5-triene
CID 145383595
(3E,5E)-7,7-difluoro-3,6-dimethylhepta-1,3,5-triene
CID 134447442
(Z)-but-2-ene;(3E,5Z)-3,6-dimethylocta-1,3,5,7-tetraene
CID 163402506
(3Z,5E)-6-(2,2-difluoroethoxy)-4-methylhepta-1,3,5-triene
CID 144673111
(3Z,5E)-7,7,7-trifluoro-3-methylhepta-1,3,5-triene
CID 89192283
(3Z,5E)-3,7-dimethylocta-1,3,5-triene
CID 6436632
3-methylhexa-1,3,5-trien-1-ol
CID 173388708
(3E,5Z)-3,6-dimethylocta-3,5,7-trien-2-amine
CID 88998044
(3Z,5Z)-7-fluoro-4-methylhepta-1,3,5-triene
CID 118002257
(3E,5Z)-3-bromo-5-methylocta-1,3,5,7-tetraene;ethane
CID 144847010
(3Z,5Z)-8,8,8-trifluoro-4,7-dimethylocta-1,3,5-triene
CID 142213266

Frequently Asked Questions

What is the IUPAC name of fluoroform;(3Z)-3-methylhexa-1,3,5-triene?
The IUPAC name of fluoroform;(3Z)-3-methylhexa-1,3,5-triene (CID 142106535) is fluoroform;(3Z)-3-methylhexa-1,3,5-triene.
What is the SMILES notation for fluoroform;(3Z)-3-methylhexa-1,3,5-triene?
The canonical SMILES for fluoroform;(3Z)-3-methylhexa-1,3,5-triene is C=C/C=C(/C)C=C.FC(F)F.
What is the InChIKey of fluoroform;(3Z)-3-methylhexa-1,3,5-triene?
The InChIKey is PFCCSRCEYJHDNV-NAFXZHHSSA-N. The full InChI is InChI=1S/C7H10.CHF3/c1-4-6-7(3)5-2;2-1(3)4/h4-6H,1-2H2,3H3;1H/b7-6-;.
What are the key properties of fluoroform;(3Z)-3-methylhexa-1,3,5-triene?
fluoroform;(3Z)-3-methylhexa-1,3,5-triene has a molecular weight of 164.17 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for fluoroform;(3Z)-3-methylhexa-1,3,5-triene is sourced from PubChem (CID 142106535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).