1-[(E)-4-fluoropent-3-en-2-yl]oxy-2-methylpropan-2-ol

C9H17FO2 — CID 167082443

IUPAC1-[(E)-4-fluoropent-3-en-2-yl]oxy-2-methylpropan-2-ol
SMILESC/C(F)=C\C(C)OCC(C)(C)O
InChIInChI=1S/C9H17FO2/c1-7(10)5-8(2)12-6-9(3,4)11/h5,8,11H,6H2,1-4H3/b7-5+
InChIKeyOIGRJPADECIALF-FNORWQNLSA-N
MW176.23 g/mol
LogP2.04
Rot. Bonds4

About 1-[(E)-4-fluoropent-3-en-2-yl]oxy-2-methylpropan-2-ol

1-[(E)-4-fluoropent-3-en-2-yl]oxy-2-methylpropan-2-ol (PubChem CID 167082443) has the molecular formula C9H17FO2 and a molecular weight of 176.23 g/mol. Its IUPAC name is 1-[(E)-4-fluoropent-3-en-2-yl]oxy-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(E)-4-fluoropent-3-en-2-yl]oxy-2-methylpropan-2-ol
PubChem CID167082443
Molecular FormulaC9H17FO2
Molecular Weight176.23 g/mol
Exact Mass176.12
IUPAC Name1-[(E)-4-fluoropent-3-en-2-yl]oxy-2-methylpropan-2-ol
SMILESC/C(F)=C\C(C)OCC(C)(C)O
InChIInChI=1S/C9H17FO2/c1-7(10)5-8(2)12-6-9(3,4)11/h5,8,11H,6H2,1-4H3/b7-5+
InChIKeyOIGRJPADECIALF-FNORWQNLSA-N
XLogP2.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.23
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-4-fluoropent-3-en-2-yl]oxy-2-methylpropan-2-ol?
The IUPAC name of 1-[(E)-4-fluoropent-3-en-2-yl]oxy-2-methylpropan-2-ol (CID 167082443) is 1-[(E)-4-fluoropent-3-en-2-yl]oxy-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(E)-4-fluoropent-3-en-2-yl]oxy-2-methylpropan-2-ol?
The canonical SMILES for 1-[(E)-4-fluoropent-3-en-2-yl]oxy-2-methylpropan-2-ol is C/C(F)=C\C(C)OCC(C)(C)O.
What is the InChIKey of 1-[(E)-4-fluoropent-3-en-2-yl]oxy-2-methylpropan-2-ol?
The InChIKey is OIGRJPADECIALF-FNORWQNLSA-N. The full InChI is InChI=1S/C9H17FO2/c1-7(10)5-8(2)12-6-9(3,4)11/h5,8,11H,6H2,1-4H3/b7-5+.
What are the key properties of 1-[(E)-4-fluoropent-3-en-2-yl]oxy-2-methylpropan-2-ol?
1-[(E)-4-fluoropent-3-en-2-yl]oxy-2-methylpropan-2-ol has a molecular weight of 176.23 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-4-fluoropent-3-en-2-yl]oxy-2-methylpropan-2-ol is sourced from PubChem (CID 167082443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).