(3Z)-2,3,4-trifluoro-6-methylhepta-1,3,5-triene

C8H9F3 — CID 138600240

IUPAC(3Z)-2,3,4-trifluoro-6-methylhepta-1,3,5-triene
SMILESC=C(F)/C(F)=C(/F)C=C(C)C
InChIInChI=1S/C8H9F3/c1-5(2)4-7(10)8(11)6(3)9/h4H,3H2,1-2H3/b8-7-
InChIKeyLOIHYKRQWJWSPF-FPLPWBNLSA-N
MW162.15 g/mol
LogP3.59
Rot. Bonds2

About (3Z)-2,3,4-trifluoro-6-methylhepta-1,3,5-triene

(3Z)-2,3,4-trifluoro-6-methylhepta-1,3,5-triene (PubChem CID 138600240) has the molecular formula C8H9F3 and a molecular weight of 162.15 g/mol. Its IUPAC name is (3Z)-2,3,4-trifluoro-6-methylhepta-1,3,5-triene.

Molecular Properties

Compound Name(3Z)-2,3,4-trifluoro-6-methylhepta-1,3,5-triene
PubChem CID138600240
Molecular FormulaC8H9F3
Molecular Weight162.15 g/mol
Exact Mass162.07
IUPAC Name(3Z)-2,3,4-trifluoro-6-methylhepta-1,3,5-triene
SMILESC=C(F)/C(F)=C(/F)C=C(C)C
InChIInChI=1S/C8H9F3/c1-5(2)4-7(10)8(11)6(3)9/h4H,3H2,1-2H3/b8-7-
InChIKeyLOIHYKRQWJWSPF-FPLPWBNLSA-N
XLogP3.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 53.59
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

(5Z)-2-fluoro-10-methyl-3,4,7,8-tetramethylideneundeca-1,5,9-triene
CID 143773264
ethane;(3E)-3-fluoro-4,6-dimethylhepta-1,3,5-triene
CID 176957823
2,4-dimethylpenta-1,3-diene;ethane
CID 144511028
2,4-dimethylpenta-1,3-diene;rhodium
CID 175138892
(3E)-2,3-difluoro-5-methylhexa-1,3,5-triene;ethane
CID 143383113
4-fluoro-2-methylpenta-1,3-diene
CID 91548369
carbanide;bis(2,4-dimethylpenta-1,3-diene);ruthenium(2+)
CID 162297697
(3Z,5Z)-3,4-difluoro-2-methylhepta-1,3,5-triene
CID 143399324
3-fluorobut-3-en-2-one
CID 158766969
hydron;1,1,2,3-tetrafluorobuta-1,3-diene
CID 88607904
1,1,2-trifluoro-3-methylbuta-1,3-diene
CID 18520937
(3Z)-3-chloro-2,4-difluoro-5-methylhexa-1,3,5-triene
CID 144827256

Frequently Asked Questions

What is the IUPAC name of (3Z)-2,3,4-trifluoro-6-methylhepta-1,3,5-triene?
The IUPAC name of (3Z)-2,3,4-trifluoro-6-methylhepta-1,3,5-triene (CID 138600240) is (3Z)-2,3,4-trifluoro-6-methylhepta-1,3,5-triene.
What is the SMILES notation for (3Z)-2,3,4-trifluoro-6-methylhepta-1,3,5-triene?
The canonical SMILES for (3Z)-2,3,4-trifluoro-6-methylhepta-1,3,5-triene is C=C(F)/C(F)=C(/F)C=C(C)C.
What is the InChIKey of (3Z)-2,3,4-trifluoro-6-methylhepta-1,3,5-triene?
The InChIKey is LOIHYKRQWJWSPF-FPLPWBNLSA-N. The full InChI is InChI=1S/C8H9F3/c1-5(2)4-7(10)8(11)6(3)9/h4H,3H2,1-2H3/b8-7-.
What are the key properties of (3Z)-2,3,4-trifluoro-6-methylhepta-1,3,5-triene?
(3Z)-2,3,4-trifluoro-6-methylhepta-1,3,5-triene has a molecular weight of 162.15 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2,3,4-trifluoro-6-methylhepta-1,3,5-triene is sourced from PubChem (CID 138600240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).