(E)-6,6,6-trifluoro-3-methylhex-2-ene

C7H11F3 — CID 153363460

IUPAC(E)-6,6,6-trifluoro-3-methylhex-2-ene
SMILESC/C=C(\C)CCC(F)(F)F
InChIInChI=1S/C7H11F3/c1-3-6(2)4-5-7(8,9)10/h3H,4-5H2,1-2H3/b6-3+
InChIKeyPQSAKUDYYHCQRE-ZZXKWVIFSA-N
MW152.16 g/mol
LogP3.30
Rot. Bonds2

About (E)-6,6,6-trifluoro-3-methylhex-2-ene

(E)-6,6,6-trifluoro-3-methylhex-2-ene (PubChem CID 153363460) has the molecular formula C7H11F3 and a molecular weight of 152.16 g/mol. Its IUPAC name is (E)-6,6,6-trifluoro-3-methylhex-2-ene.

Molecular Properties

Compound Name(E)-6,6,6-trifluoro-3-methylhex-2-ene
PubChem CID153363460
Molecular FormulaC7H11F3
Molecular Weight152.16 g/mol
Exact Mass152.08
IUPAC Name(E)-6,6,6-trifluoro-3-methylhex-2-ene
SMILESC/C=C(\C)CCC(F)(F)F
InChIInChI=1S/C7H11F3/c1-3-6(2)4-5-7(8,9)10/h3H,4-5H2,1-2H3/b6-3+
InChIKeyPQSAKUDYYHCQRE-ZZXKWVIFSA-N
XLogP3.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.16
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-6,6,6-trifluoro-3-methylhex-2-ene?
The IUPAC name of (E)-6,6,6-trifluoro-3-methylhex-2-ene (CID 153363460) is (E)-6,6,6-trifluoro-3-methylhex-2-ene.
What is the SMILES notation for (E)-6,6,6-trifluoro-3-methylhex-2-ene?
The canonical SMILES for (E)-6,6,6-trifluoro-3-methylhex-2-ene is C/C=C(\C)CCC(F)(F)F.
What is the InChIKey of (E)-6,6,6-trifluoro-3-methylhex-2-ene?
The InChIKey is PQSAKUDYYHCQRE-ZZXKWVIFSA-N. The full InChI is InChI=1S/C7H11F3/c1-3-6(2)4-5-7(8,9)10/h3H,4-5H2,1-2H3/b6-3+.
What are the key properties of (E)-6,6,6-trifluoro-3-methylhex-2-ene?
(E)-6,6,6-trifluoro-3-methylhex-2-ene has a molecular weight of 152.16 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6,6,6-trifluoro-3-methylhex-2-ene is sourced from PubChem (CID 153363460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).