2-(1,4,4-trifluorobut-2-enoxy)oxane

C9H13F3O2 — CID 175473604

IUPAC2-(1,4,4-trifluorobut-2-enoxy)oxane
SMILESFC(F)C=CC(F)OC1CCCCO1
InChIInChI=1S/C9H13F3O2/c10-7(11)4-5-8(12)14-9-3-1-2-6-13-9/h4-5,7-9H,1-3,6H2
InChIKeyKEFRHXICBKMERN-UHFFFAOYSA-N
MW210.19 g/mol
LogP2.65
Rot. Bonds4

About 2-(1,4,4-trifluorobut-2-enoxy)oxane

2-(1,4,4-trifluorobut-2-enoxy)oxane (PubChem CID 175473604) has the molecular formula C9H13F3O2 and a molecular weight of 210.19 g/mol. Its IUPAC name is 2-(1,4,4-trifluorobut-2-enoxy)oxane.

Molecular Properties

Compound Name2-(1,4,4-trifluorobut-2-enoxy)oxane
PubChem CID175473604
Molecular FormulaC9H13F3O2
Molecular Weight210.19 g/mol
Exact Mass210.09
IUPAC Name2-(1,4,4-trifluorobut-2-enoxy)oxane
SMILESFC(F)C=CC(F)OC1CCCCO1
InChIInChI=1S/C9H13F3O2/c10-7(11)4-5-8(12)14-9-3-1-2-6-13-9/h4-5,7-9H,1-3,6H2
InChIKeyKEFRHXICBKMERN-UHFFFAOYSA-N
XLogP2.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2S)-but-3-en-2-yl]oxyoxane
CID 11019115
2-[(Z,2S)-hex-3-en-2-yl]oxyoxane
CID 58329904
2-(1-cyclohexylprop-2-enoxy)oxane
CID 54027830
2-[(E)-prop-1-enoxy]oxane
CID 12835881
2-butan-2-yloxyoxane
CID 559028
2-(oxan-2-yloxy)propanoic acid
CID 542280
2,2-difluoro-3,4-bis(oxan-2-yloxy)butanal
CID 154151752
(3S)-3-(oxan-2-yloxy)butan-1-ol
CID 15019404
1,1-dideuterio-2-(oxan-2-yloxy)propan-1-ol
CID 169284168
2-(1,4-dibromobutan-2-yloxy)oxane
CID 15067929
(3R)-3-[(2R)-oxan-2-yl]oxybutan-1-amine
CID 98010101
2-methoxyoxepane
CID 24974084

Frequently Asked Questions

What is the IUPAC name of 2-(1,4,4-trifluorobut-2-enoxy)oxane?
The IUPAC name of 2-(1,4,4-trifluorobut-2-enoxy)oxane (CID 175473604) is 2-(1,4,4-trifluorobut-2-enoxy)oxane.
What is the SMILES notation for 2-(1,4,4-trifluorobut-2-enoxy)oxane?
The canonical SMILES for 2-(1,4,4-trifluorobut-2-enoxy)oxane is FC(F)C=CC(F)OC1CCCCO1.
What is the InChIKey of 2-(1,4,4-trifluorobut-2-enoxy)oxane?
The InChIKey is KEFRHXICBKMERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3O2/c10-7(11)4-5-8(12)14-9-3-1-2-6-13-9/h4-5,7-9H,1-3,6H2.
What are the key properties of 2-(1,4,4-trifluorobut-2-enoxy)oxane?
2-(1,4,4-trifluorobut-2-enoxy)oxane has a molecular weight of 210.19 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4,4-trifluorobut-2-enoxy)oxane is sourced from PubChem (CID 175473604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).