(4R,5E)-7,7,7-trifluoro-4,6-dimethylhepta-1,5-diene

C9H13F3 — CID 90261567

IUPAC(4R,5E)-7,7,7-trifluoro-4,6-dimethylhepta-1,5-diene
SMILESC=CC[C@@H](C)/C=C(\C)C(F)(F)F
InChIInChI=1S/C9H13F3/c1-4-5-7(2)6-8(3)9(10,11)12/h4,6-7H,1,5H2,2-3H3/b8-6+/t7-/m1/s1
InChIKeyXQWRWOAMGXFGGI-UQBZRGDZSA-N
MW178.20 g/mol
LogP3.71
Rot. Bonds3

About (4R,5E)-7,7,7-trifluoro-4,6-dimethylhepta-1,5-diene

(4R,5E)-7,7,7-trifluoro-4,6-dimethylhepta-1,5-diene (PubChem CID 90261567) has the molecular formula C9H13F3 and a molecular weight of 178.20 g/mol. Its IUPAC name is (4R,5E)-7,7,7-trifluoro-4,6-dimethylhepta-1,5-diene.

Molecular Properties

Compound Name(4R,5E)-7,7,7-trifluoro-4,6-dimethylhepta-1,5-diene
PubChem CID90261567
Molecular FormulaC9H13F3
Molecular Weight178.20 g/mol
Exact Mass178.10
IUPAC Name(4R,5E)-7,7,7-trifluoro-4,6-dimethylhepta-1,5-diene
SMILESC=CC[C@@H](C)/C=C(\C)C(F)(F)F
InChIInChI=1S/C9H13F3/c1-4-5-7(2)6-8(3)9(10,11)12/h4,6-7H,1,5H2,2-3H3/b8-6+/t7-/m1/s1
InChIKeyXQWRWOAMGXFGGI-UQBZRGDZSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.20
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(4R)-5,5,5-trifluoro-4-methylpent-1-ene
CID 89023731
acetic acid;2,4-dimethylhepta-2,6-dien-1-ol
CID 71343494
4,4-dibromo-1,1,1-trifluoro-2-methylbut-2-ene
CID 151634053
(2R)-2-methylpent-4-enal;(2S)-2-methylpent-4-enal
CID 159356826
tert-butyl-dimethyl-[(3E)-5-methylocta-3,7-dien-3-yl]oxysilane
CID 15691228
triethyl-[(2E,4Z,6S)-6-methylnona-2,4,8-trien-4-yl]oxysilane
CID 11565216
(2E,4Z)-1,1,1,7,7,7-hexafluoro-2,4,6-trimethylhepta-2,4-diene
CID 143161376
[1-[(2E)-2,4-dimethylhepta-2,6-dienyl]-4-fluoropiperidin-4-yl]methanamine
CID 143387135
azane;pent-4-en-2-ol
CID 22149561
4-methylhepta-2,6-dienoic acid
CID 123607563
N,N,6-trimethylnona-2,4,8-trien-2-amine
CID 123195262
(2E,4E)-5-ethenyl-1,1,1-trifluoro-2,6,7,7-tetramethylocta-2,4-diene
CID 155261834

Frequently Asked Questions

What is the IUPAC name of (4R,5E)-7,7,7-trifluoro-4,6-dimethylhepta-1,5-diene?
The IUPAC name of (4R,5E)-7,7,7-trifluoro-4,6-dimethylhepta-1,5-diene (CID 90261567) is (4R,5E)-7,7,7-trifluoro-4,6-dimethylhepta-1,5-diene.
What is the SMILES notation for (4R,5E)-7,7,7-trifluoro-4,6-dimethylhepta-1,5-diene?
The canonical SMILES for (4R,5E)-7,7,7-trifluoro-4,6-dimethylhepta-1,5-diene is C=CC[C@@H](C)/C=C(\C)C(F)(F)F.
What is the InChIKey of (4R,5E)-7,7,7-trifluoro-4,6-dimethylhepta-1,5-diene?
The InChIKey is XQWRWOAMGXFGGI-UQBZRGDZSA-N. The full InChI is InChI=1S/C9H13F3/c1-4-5-7(2)6-8(3)9(10,11)12/h4,6-7H,1,5H2,2-3H3/b8-6+/t7-/m1/s1.
What are the key properties of (4R,5E)-7,7,7-trifluoro-4,6-dimethylhepta-1,5-diene?
(4R,5E)-7,7,7-trifluoro-4,6-dimethylhepta-1,5-diene has a molecular weight of 178.20 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5E)-7,7,7-trifluoro-4,6-dimethylhepta-1,5-diene is sourced from PubChem (CID 90261567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).