3-ethenoxy-1,4-difluoropentane

C7H12F2O — CID 57301028

IUPAC3-ethenoxy-1,4-difluoropentane
SMILESC=COC(CCF)C(C)F
InChIInChI=1S/C7H12F2O/c1-3-10-7(4-5-8)6(2)9/h3,6-7H,1,4-5H2,2H3
InChIKeyADVLRKDOFKPONJ-UHFFFAOYSA-N
MW150.17 g/mol
LogP2.23
Rot. Bonds5

About 3-ethenoxy-1,4-difluoropentane

3-ethenoxy-1,4-difluoropentane (PubChem CID 57301028) has the molecular formula C7H12F2O and a molecular weight of 150.17 g/mol. Its IUPAC name is 3-ethenoxy-1,4-difluoropentane.

Molecular Properties

Compound Name3-ethenoxy-1,4-difluoropentane
PubChem CID57301028
Molecular FormulaC7H12F2O
Molecular Weight150.17 g/mol
Exact Mass150.09
IUPAC Name3-ethenoxy-1,4-difluoropentane
SMILESC=COC(CCF)C(C)F
InChIInChI=1S/C7H12F2O/c1-3-10-7(4-5-8)6(2)9/h3,6-7H,1,4-5H2,2H3
InChIKeyADVLRKDOFKPONJ-UHFFFAOYSA-N
XLogP2.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.17
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

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CID 53679384
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CID 53751297
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CID 53782337
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CID 53796717
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CID 53848680
CID 53848680
CID 53871357
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CID 53888466

Frequently Asked Questions

What is the IUPAC name of 3-ethenoxy-1,4-difluoropentane?
The IUPAC name of 3-ethenoxy-1,4-difluoropentane (CID 57301028) is 3-ethenoxy-1,4-difluoropentane.
What is the SMILES notation for 3-ethenoxy-1,4-difluoropentane?
The canonical SMILES for 3-ethenoxy-1,4-difluoropentane is C=COC(CCF)C(C)F.
What is the InChIKey of 3-ethenoxy-1,4-difluoropentane?
The InChIKey is ADVLRKDOFKPONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2O/c1-3-10-7(4-5-8)6(2)9/h3,6-7H,1,4-5H2,2H3.
What are the key properties of 3-ethenoxy-1,4-difluoropentane?
3-ethenoxy-1,4-difluoropentane has a molecular weight of 150.17 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenoxy-1,4-difluoropentane is sourced from PubChem (CID 57301028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).