1-butoxy-1,2,2,3,3,4,4,5-octafluorocyclopentane

C9H10F8O — CID 58114502

IUPAC1-butoxy-1,2,2,3,3,4,4,5-octafluorocyclopentane
SMILESCCCCOC1(F)C(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C9H10F8O/c1-2-3-4-18-7(13)5(10)6(11,12)8(14,15)9(7,16)17/h5H,2-4H2,1H3
InChIKeyNIEHMCJYUVPQIN-UHFFFAOYSA-N
MW286.16 g/mol
LogP3.73
Rot. Bonds4

About 1-butoxy-1,2,2,3,3,4,4,5-octafluorocyclopentane

1-butoxy-1,2,2,3,3,4,4,5-octafluorocyclopentane (PubChem CID 58114502) has the molecular formula C9H10F8O and a molecular weight of 286.16 g/mol. Its IUPAC name is 1-butoxy-1,2,2,3,3,4,4,5-octafluorocyclopentane.

Molecular Properties

Compound Name1-butoxy-1,2,2,3,3,4,4,5-octafluorocyclopentane
PubChem CID58114502
Molecular FormulaC9H10F8O
Molecular Weight286.16 g/mol
Exact Mass286.06
IUPAC Name1-butoxy-1,2,2,3,3,4,4,5-octafluorocyclopentane
SMILESCCCCOC1(F)C(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C9H10F8O/c1-2-3-4-18-7(13)5(10)6(11,12)8(14,15)9(7,16)17/h5H,2-4H2,1H3
InChIKeyNIEHMCJYUVPQIN-UHFFFAOYSA-N
XLogP3.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.16
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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ethane;1-ethoxybutane;molecular hydrogen
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1,1-dibutoxycyclooctane
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1-butylperoxybutane
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1-butoxy-2,2-dichloro-1-methylcyclopropane
CID 23262419
1,1,2,2,3,4,4,5,5-nonafluoro-6-propylcyclohexane
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Frequently Asked Questions

What is the IUPAC name of 1-butoxy-1,2,2,3,3,4,4,5-octafluorocyclopentane?
The IUPAC name of 1-butoxy-1,2,2,3,3,4,4,5-octafluorocyclopentane (CID 58114502) is 1-butoxy-1,2,2,3,3,4,4,5-octafluorocyclopentane.
What is the SMILES notation for 1-butoxy-1,2,2,3,3,4,4,5-octafluorocyclopentane?
The canonical SMILES for 1-butoxy-1,2,2,3,3,4,4,5-octafluorocyclopentane is CCCCOC1(F)C(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1-butoxy-1,2,2,3,3,4,4,5-octafluorocyclopentane?
The InChIKey is NIEHMCJYUVPQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F8O/c1-2-3-4-18-7(13)5(10)6(11,12)8(14,15)9(7,16)17/h5H,2-4H2,1H3.
What are the key properties of 1-butoxy-1,2,2,3,3,4,4,5-octafluorocyclopentane?
1-butoxy-1,2,2,3,3,4,4,5-octafluorocyclopentane has a molecular weight of 286.16 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-1,2,2,3,3,4,4,5-octafluorocyclopentane is sourced from PubChem (CID 58114502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).