(3E)-5-fluoro-6-methyl-4-(trifluoromethyl)hepta-1,3,5-triene

C9H10F4 — CID 171826400

IUPAC(3E)-5-fluoro-6-methyl-4-(trifluoromethyl)hepta-1,3,5-triene
SMILESC=C/C=C(\C(F)=C(C)C)C(F)(F)F
InChIInChI=1S/C9H10F4/c1-4-5-7(9(11,12)13)8(10)6(2)3/h4-5H,1H2,2-3H3/b7-5+
InChIKeyRREUPELGBJDCAT-FNORWQNLSA-N
MW194.17 g/mol
LogP3.92
Rot. Bonds2

About (3E)-5-fluoro-6-methyl-4-(trifluoromethyl)hepta-1,3,5-triene

(3E)-5-fluoro-6-methyl-4-(trifluoromethyl)hepta-1,3,5-triene (PubChem CID 171826400) has the molecular formula C9H10F4 and a molecular weight of 194.17 g/mol. Its IUPAC name is (3E)-5-fluoro-6-methyl-4-(trifluoromethyl)hepta-1,3,5-triene.

Molecular Properties

Compound Name(3E)-5-fluoro-6-methyl-4-(trifluoromethyl)hepta-1,3,5-triene
PubChem CID171826400
Molecular FormulaC9H10F4
Molecular Weight194.17 g/mol
Exact Mass194.07
IUPAC Name(3E)-5-fluoro-6-methyl-4-(trifluoromethyl)hepta-1,3,5-triene
SMILESC=C/C=C(\C(F)=C(C)C)C(F)(F)F
InChIInChI=1S/C9H10F4/c1-4-5-7(9(11,12)13)8(10)6(2)3/h4-5H,1H2,2-3H3/b7-5+
InChIKeyRREUPELGBJDCAT-FNORWQNLSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.17
LogP ≤ 53.92
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,5E)-3,4-dimethyl-5-(trifluoromethyl)octa-1,3,5,7-tetraene
CID 144776103
(3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-4-ol
CID 143407155
(5Z,6E)-5-ethylidene-6-(trifluoromethyl)nona-6,8-dien-3-ol
CID 143267432
(2Z)-1,1,1-trifluoro-N,N-dimethylpenta-2,4-dien-2-amine
CID 139385369
(1Z,3E)-2-amino-3-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]hexa-1,3,5-triene-1-thiol
CID 89426000
(3E,5E)-4,6-difluorohepta-1,3,5-triene
CID 142874217
ethane;(3Z)-2-fluoro-3-methylhexa-1,3,5-triene
CID 143773751
(3E,5Z)-8,8,8-trifluoro-5-methylocta-1,3,5-trien-4-amine
CID 166907287
(2Z)-2-(trifluoromethyl)penta-2,4-dienethial
CID 162607484
(3Z)-3-methyl-2-methylsulfanylhexa-1,3,5-triene
CID 177208202
(3E)-5-methyl-4-(trifluoromethyl)hepta-1,3-diene
CID 138486545
(3E)-4-fluorohexa-1,3-diene
CID 88586520

Frequently Asked Questions

What is the IUPAC name of (3E)-5-fluoro-6-methyl-4-(trifluoromethyl)hepta-1,3,5-triene?
The IUPAC name of (3E)-5-fluoro-6-methyl-4-(trifluoromethyl)hepta-1,3,5-triene (CID 171826400) is (3E)-5-fluoro-6-methyl-4-(trifluoromethyl)hepta-1,3,5-triene.
What is the SMILES notation for (3E)-5-fluoro-6-methyl-4-(trifluoromethyl)hepta-1,3,5-triene?
The canonical SMILES for (3E)-5-fluoro-6-methyl-4-(trifluoromethyl)hepta-1,3,5-triene is C=C/C=C(\C(F)=C(C)C)C(F)(F)F.
What is the InChIKey of (3E)-5-fluoro-6-methyl-4-(trifluoromethyl)hepta-1,3,5-triene?
The InChIKey is RREUPELGBJDCAT-FNORWQNLSA-N. The full InChI is InChI=1S/C9H10F4/c1-4-5-7(9(11,12)13)8(10)6(2)3/h4-5H,1H2,2-3H3/b7-5+.
What are the key properties of (3E)-5-fluoro-6-methyl-4-(trifluoromethyl)hepta-1,3,5-triene?
(3E)-5-fluoro-6-methyl-4-(trifluoromethyl)hepta-1,3,5-triene has a molecular weight of 194.17 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-fluoro-6-methyl-4-(trifluoromethyl)hepta-1,3,5-triene is sourced from PubChem (CID 171826400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).