(3E)-5-fluoro-5-methyl-3-(trifluoromethyl)hexa-1,3-diene

C8H10F4 — CID 162612401

IUPAC(3E)-5-fluoro-5-methyl-3-(trifluoromethyl)hexa-1,3-diene
SMILESC=C/C(=C\C(C)(C)F)C(F)(F)F
InChIInChI=1S/C8H10F4/c1-4-6(8(10,11)12)5-7(2,3)9/h4-5H,1H2,2-3H3/b6-5+
InChIKeyKDWGSMKATAZLQC-AATRIKPKSA-N
MW182.16 g/mol
LogP3.41
Rot. Bonds2

About (3E)-5-fluoro-5-methyl-3-(trifluoromethyl)hexa-1,3-diene

(3E)-5-fluoro-5-methyl-3-(trifluoromethyl)hexa-1,3-diene (PubChem CID 162612401) has the molecular formula C8H10F4 and a molecular weight of 182.16 g/mol. Its IUPAC name is (3E)-5-fluoro-5-methyl-3-(trifluoromethyl)hexa-1,3-diene.

Molecular Properties

Compound Name(3E)-5-fluoro-5-methyl-3-(trifluoromethyl)hexa-1,3-diene
PubChem CID162612401
Molecular FormulaC8H10F4
Molecular Weight182.16 g/mol
Exact Mass182.07
IUPAC Name(3E)-5-fluoro-5-methyl-3-(trifluoromethyl)hexa-1,3-diene
SMILESC=C/C(=C\C(C)(C)F)C(F)(F)F
InChIInChI=1S/C8H10F4/c1-4-6(8(10,11)12)5-7(2,3)9/h4-5H,1H2,2-3H3/b6-5+
InChIKeyKDWGSMKATAZLQC-AATRIKPKSA-N
XLogP3.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.16
LogP ≤ 53.41
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)-6-iodo-3-(trifluoromethyl)hepta-1,3,5-triene
CID 162565488
(1E)-N-methyl-N-propan-2-yl-2-(trifluoromethyl)buta-1,3-dien-1-amine;propane
CID 156717514
(3E,5E)-7-methyl-3-(trifluoromethyl)octa-1,3,5-triene
CID 143576225
(3E)-5-ethyl-6-methyl-3-(trifluoromethyl)hepta-1,3,5-triene
CID 163624463
(3E)-5-methylidene-3-(trifluoromethyl)octa-1,3-dien-6-yne
CID 144911780
(3E)-3-(2-fluoropropan-2-yl)-5,6-dimethylhepta-1,3,5-triene
CID 143048353
[(3E)-2-methylidene-4-(trifluoromethyl)hexa-3,5-dienyl]phosphane
CID 142032731
(1E,3E)-N-ethyl-4-(trifluoromethyl)hexa-1,3,5-trien-1-amine
CID 142154552
4,4-difluoropent-1-en-3-one
CID 89392918
4,4-difluoro-3-methylidenepent-1-ene
CID 134189275
(3E)-2,6-dimethyl-4-(trifluoromethyl)hepta-1,3,5-triene
CID 143951906
(3E,7Z)-5,6,9-trimethylidene-3-(trifluoromethyl)undeca-1,3,7-triene
CID 145480576

Frequently Asked Questions

What is the IUPAC name of (3E)-5-fluoro-5-methyl-3-(trifluoromethyl)hexa-1,3-diene?
The IUPAC name of (3E)-5-fluoro-5-methyl-3-(trifluoromethyl)hexa-1,3-diene (CID 162612401) is (3E)-5-fluoro-5-methyl-3-(trifluoromethyl)hexa-1,3-diene.
What is the SMILES notation for (3E)-5-fluoro-5-methyl-3-(trifluoromethyl)hexa-1,3-diene?
The canonical SMILES for (3E)-5-fluoro-5-methyl-3-(trifluoromethyl)hexa-1,3-diene is C=C/C(=C\C(C)(C)F)C(F)(F)F.
What is the InChIKey of (3E)-5-fluoro-5-methyl-3-(trifluoromethyl)hexa-1,3-diene?
The InChIKey is KDWGSMKATAZLQC-AATRIKPKSA-N. The full InChI is InChI=1S/C8H10F4/c1-4-6(8(10,11)12)5-7(2,3)9/h4-5H,1H2,2-3H3/b6-5+.
What are the key properties of (3E)-5-fluoro-5-methyl-3-(trifluoromethyl)hexa-1,3-diene?
(3E)-5-fluoro-5-methyl-3-(trifluoromethyl)hexa-1,3-diene has a molecular weight of 182.16 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-fluoro-5-methyl-3-(trifluoromethyl)hexa-1,3-diene is sourced from PubChem (CID 162612401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).