3-fluoro-2,3-dimethyl-5-(2,2,2-trifluoroethoxy)pent-1-ene

C9H14F4O — CID 162608292

IUPAC3-fluoro-2,3-dimethyl-5-(2,2,2-trifluoroethoxy)pent-1-ene
SMILESC=C(C)C(C)(F)CCOCC(F)(F)F
InChIInChI=1S/C9H14F4O/c1-7(2)8(3,10)4-5-14-6-9(11,12)13/h1,4-6H2,2-3H3
InChIKeyXUGXBQZCGOPGQT-UHFFFAOYSA-N
MW214.20 g/mol
LogP3.26
Rot. Bonds5

About 3-fluoro-2,3-dimethyl-5-(2,2,2-trifluoroethoxy)pent-1-ene

3-fluoro-2,3-dimethyl-5-(2,2,2-trifluoroethoxy)pent-1-ene (PubChem CID 162608292) has the molecular formula C9H14F4O and a molecular weight of 214.20 g/mol. Its IUPAC name is 3-fluoro-2,3-dimethyl-5-(2,2,2-trifluoroethoxy)pent-1-ene.

Molecular Properties

Compound Name3-fluoro-2,3-dimethyl-5-(2,2,2-trifluoroethoxy)pent-1-ene
PubChem CID162608292
Molecular FormulaC9H14F4O
Molecular Weight214.20 g/mol
Exact Mass214.10
IUPAC Name3-fluoro-2,3-dimethyl-5-(2,2,2-trifluoroethoxy)pent-1-ene
SMILESC=C(C)C(C)(F)CCOCC(F)(F)F
InChIInChI=1S/C9H14F4O/c1-7(2)8(3,10)4-5-14-6-9(11,12)13/h1,4-6H2,2-3H3
InChIKeyXUGXBQZCGOPGQT-UHFFFAOYSA-N
XLogP3.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.20
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2,3-dimethyl-5-(2,2,2-trifluoroethoxy)pent-1-ene?
The IUPAC name of 3-fluoro-2,3-dimethyl-5-(2,2,2-trifluoroethoxy)pent-1-ene (CID 162608292) is 3-fluoro-2,3-dimethyl-5-(2,2,2-trifluoroethoxy)pent-1-ene.
What is the SMILES notation for 3-fluoro-2,3-dimethyl-5-(2,2,2-trifluoroethoxy)pent-1-ene?
The canonical SMILES for 3-fluoro-2,3-dimethyl-5-(2,2,2-trifluoroethoxy)pent-1-ene is C=C(C)C(C)(F)CCOCC(F)(F)F.
What is the InChIKey of 3-fluoro-2,3-dimethyl-5-(2,2,2-trifluoroethoxy)pent-1-ene?
The InChIKey is XUGXBQZCGOPGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F4O/c1-7(2)8(3,10)4-5-14-6-9(11,12)13/h1,4-6H2,2-3H3.
What are the key properties of 3-fluoro-2,3-dimethyl-5-(2,2,2-trifluoroethoxy)pent-1-ene?
3-fluoro-2,3-dimethyl-5-(2,2,2-trifluoroethoxy)pent-1-ene has a molecular weight of 214.20 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2,3-dimethyl-5-(2,2,2-trifluoroethoxy)pent-1-ene is sourced from PubChem (CID 162608292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).