ethane;(3Z)-2-fluoro-3-methylhexa-1,3,5-triene

C11H21F — CID 143773751

IUPACethane;(3Z)-2-fluoro-3-methylhexa-1,3,5-triene
SMILESC=C/C=C(/C)C(=C)F.CC.CC
InChIInChI=1S/C7H9F.2C2H6/c1-4-5-6(2)7(3)8;2*1-2/h4-5H,1,3H2,2H3;2*1-2H3/b6-5-;;
InChIKeyQGEILPZZPRGYCT-XNOMRPDFSA-N
MW172.29 g/mol
LogP4.65
Rot. Bonds2

About ethane;(3Z)-2-fluoro-3-methylhexa-1,3,5-triene

ethane;(3Z)-2-fluoro-3-methylhexa-1,3,5-triene (PubChem CID 143773751) has the molecular formula C11H21F and a molecular weight of 172.29 g/mol. Its IUPAC name is ethane;(3Z)-2-fluoro-3-methylhexa-1,3,5-triene.

Molecular Properties

Compound Nameethane;(3Z)-2-fluoro-3-methylhexa-1,3,5-triene
PubChem CID143773751
Molecular FormulaC11H21F
Molecular Weight172.29 g/mol
Exact Mass172.16
IUPAC Nameethane;(3Z)-2-fluoro-3-methylhexa-1,3,5-triene
SMILESC=C/C=C(/C)C(=C)F.CC.CC
InChIInChI=1S/C7H9F.2C2H6/c1-4-5-6(2)7(3)8;2*1-2/h4-5H,1,3H2,2H3;2*1-2H3/b6-5-;;
InChIKeyQGEILPZZPRGYCT-XNOMRPDFSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.29
LogP ≤ 54.65
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

ethane;(3Z,5E)-4-methyl-5-prop-1-en-2-ylocta-1,3,5,7-tetraene
CID 144917186
(3Z,5Z)-4,5-dimethylhepta-1,3,5-triene;ethane;methane
CID 143254400
(3Z)-3-(1-fluoroethenyl)hexa-3,5-dien-2-one
CID 142839788
(3Z)-3-methyl-2-methylsulfanylhexa-1,3,5-triene
CID 177208202
(3E,5E)-4,5-dimethylhepta-1,3,5-triene;ethane;propane
CID 156821319
3-chloro-2-fluorohexa-1,3,5-triene
CID 123589039
ethane;(3E)-2-methylhexa-1,3,5-trien-3-ol
CID 144511153
(2E)-2-bromo-N-methylpenta-2,4-dienimidoyl fluoride
CID 143998340
(3E)-3-chloro-2-methylhexa-1,3,5-triene;ethane
CID 143207837
(3E,5E)-4,6-difluorohepta-1,3,5-triene
CID 142874217
(3E,5E)-2-(dibromomethyl)-3,5-dimethylocta-1,3,5,7-tetraene
CID 167298900
buta-1,3-diene;bis(2-methylprop-1-ene)
CID 157325462

Frequently Asked Questions

What is the IUPAC name of ethane;(3Z)-2-fluoro-3-methylhexa-1,3,5-triene?
The IUPAC name of ethane;(3Z)-2-fluoro-3-methylhexa-1,3,5-triene (CID 143773751) is ethane;(3Z)-2-fluoro-3-methylhexa-1,3,5-triene.
What is the SMILES notation for ethane;(3Z)-2-fluoro-3-methylhexa-1,3,5-triene?
The canonical SMILES for ethane;(3Z)-2-fluoro-3-methylhexa-1,3,5-triene is C=C/C=C(/C)C(=C)F.CC.CC.
What is the InChIKey of ethane;(3Z)-2-fluoro-3-methylhexa-1,3,5-triene?
The InChIKey is QGEILPZZPRGYCT-XNOMRPDFSA-N. The full InChI is InChI=1S/C7H9F.2C2H6/c1-4-5-6(2)7(3)8;2*1-2/h4-5H,1,3H2,2H3;2*1-2H3/b6-5-;;.
What are the key properties of ethane;(3Z)-2-fluoro-3-methylhexa-1,3,5-triene?
ethane;(3Z)-2-fluoro-3-methylhexa-1,3,5-triene has a molecular weight of 172.29 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z)-2-fluoro-3-methylhexa-1,3,5-triene is sourced from PubChem (CID 143773751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).