(E,5R,6R)-1,1,1-trifluoro-5,6-dimethyloct-2-ene

C10H17F3 — CID 174009478

IUPAC(E,5R,6R)-1,1,1-trifluoro-5,6-dimethyloct-2-ene
SMILESCC[C@@H](C)[C@H](C)C/C=C/C(F)(F)F
InChIInChI=1S/C10H17F3/c1-4-8(2)9(3)6-5-7-10(11,12)13/h5,7-9H,4,6H2,1-3H3/b7-5+/t8-,9-/m1/s1
InChIKeyHOXHLWIEKMWIKW-LKJMDQPVSA-N
MW194.24 g/mol
LogP4.18
Rot. Bonds4

About (E,5R,6R)-1,1,1-trifluoro-5,6-dimethyloct-2-ene

(E,5R,6R)-1,1,1-trifluoro-5,6-dimethyloct-2-ene (PubChem CID 174009478) has the molecular formula C10H17F3 and a molecular weight of 194.24 g/mol. Its IUPAC name is (E,5R,6R)-1,1,1-trifluoro-5,6-dimethyloct-2-ene.

Molecular Properties

Compound Name(E,5R,6R)-1,1,1-trifluoro-5,6-dimethyloct-2-ene
PubChem CID174009478
Molecular FormulaC10H17F3
Molecular Weight194.24 g/mol
Exact Mass194.13
IUPAC Name(E,5R,6R)-1,1,1-trifluoro-5,6-dimethyloct-2-ene
SMILESCC[C@@H](C)[C@H](C)C/C=C/C(F)(F)F
InChIInChI=1S/C10H17F3/c1-4-8(2)9(3)6-5-7-10(11,12)13/h5,7-9H,4,6H2,1-3H3/b7-5+/t8-,9-/m1/s1
InChIKeyHOXHLWIEKMWIKW-LKJMDQPVSA-N
XLogP4.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 54.18
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,5R,6R)-1,1,1-trifluoro-5,6-dimethyloct-2-ene?
The IUPAC name of (E,5R,6R)-1,1,1-trifluoro-5,6-dimethyloct-2-ene (CID 174009478) is (E,5R,6R)-1,1,1-trifluoro-5,6-dimethyloct-2-ene.
What is the SMILES notation for (E,5R,6R)-1,1,1-trifluoro-5,6-dimethyloct-2-ene?
The canonical SMILES for (E,5R,6R)-1,1,1-trifluoro-5,6-dimethyloct-2-ene is CC[C@@H](C)[C@H](C)C/C=C/C(F)(F)F.
What is the InChIKey of (E,5R,6R)-1,1,1-trifluoro-5,6-dimethyloct-2-ene?
The InChIKey is HOXHLWIEKMWIKW-LKJMDQPVSA-N. The full InChI is InChI=1S/C10H17F3/c1-4-8(2)9(3)6-5-7-10(11,12)13/h5,7-9H,4,6H2,1-3H3/b7-5+/t8-,9-/m1/s1.
What are the key properties of (E,5R,6R)-1,1,1-trifluoro-5,6-dimethyloct-2-ene?
(E,5R,6R)-1,1,1-trifluoro-5,6-dimethyloct-2-ene has a molecular weight of 194.24 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E,5R,6R)-1,1,1-trifluoro-5,6-dimethyloct-2-ene is sourced from PubChem (CID 174009478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).