(3E)-5,5,5-trifluoro-2-methylpenta-1,3-diene

C6H7F3 — CID 102247567

IUPAC(3E)-5,5,5-trifluoro-2-methylpenta-1,3-diene
SMILESC=C(C)/C=C/C(F)(F)F
InChIInChI=1S/C6H7F3/c1-5(2)3-4-6(7,8)9/h3-4H,1H2,2H3/b4-3+
InChIKeyMJJUHKIMBFCMFP-ONEGZZNKSA-N
MW136.12 g/mol
LogP2.68
Rot. Bonds1

About (3E)-5,5,5-trifluoro-2-methylpenta-1,3-diene

(3E)-5,5,5-trifluoro-2-methylpenta-1,3-diene (PubChem CID 102247567) has the molecular formula C6H7F3 and a molecular weight of 136.12 g/mol. Its IUPAC name is (3E)-5,5,5-trifluoro-2-methylpenta-1,3-diene.

Molecular Properties

Compound Name(3E)-5,5,5-trifluoro-2-methylpenta-1,3-diene
PubChem CID102247567
Molecular FormulaC6H7F3
Molecular Weight136.12 g/mol
Exact Mass136.05
IUPAC Name(3E)-5,5,5-trifluoro-2-methylpenta-1,3-diene
SMILESC=C(C)/C=C/C(F)(F)F
InChIInChI=1S/C6H7F3/c1-5(2)3-4-6(7,8)9/h3-4H,1H2,2H3/b4-3+
InChIKeyMJJUHKIMBFCMFP-ONEGZZNKSA-N
XLogP2.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.12
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-5,5,5-trifluoro-2-methylpenta-1,3-diene?
The IUPAC name of (3E)-5,5,5-trifluoro-2-methylpenta-1,3-diene (CID 102247567) is (3E)-5,5,5-trifluoro-2-methylpenta-1,3-diene.
What is the SMILES notation for (3E)-5,5,5-trifluoro-2-methylpenta-1,3-diene?
The canonical SMILES for (3E)-5,5,5-trifluoro-2-methylpenta-1,3-diene is C=C(C)/C=C/C(F)(F)F.
What is the InChIKey of (3E)-5,5,5-trifluoro-2-methylpenta-1,3-diene?
The InChIKey is MJJUHKIMBFCMFP-ONEGZZNKSA-N. The full InChI is InChI=1S/C6H7F3/c1-5(2)3-4-6(7,8)9/h3-4H,1H2,2H3/b4-3+.
What are the key properties of (3E)-5,5,5-trifluoro-2-methylpenta-1,3-diene?
(3E)-5,5,5-trifluoro-2-methylpenta-1,3-diene has a molecular weight of 136.12 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5,5,5-trifluoro-2-methylpenta-1,3-diene is sourced from PubChem (CID 102247567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).