1-pentoxypentane;pentyl hypofluorite

C15H33FO2 — CID 174949385

IUPAC1-pentoxypentane;pentyl hypofluorite
SMILESCCCCCOCCCCC.CCCCCOF
InChIInChI=1S/C10H22O.C5H11FO/c1-3-5-7-9-11-10-8-6-4-2;1-2-3-4-5-7-6/h3-10H2,1-2H3;2-5H2,1H3
InChIKeyLACSBPAVGBNSDP-UHFFFAOYSA-N
MW264.42 g/mol
LogP5.46
Rot. Bonds12

About 1-pentoxypentane;pentyl hypofluorite

1-pentoxypentane;pentyl hypofluorite (PubChem CID 174949385) has the molecular formula C15H33FO2 and a molecular weight of 264.42 g/mol. Its IUPAC name is 1-pentoxypentane;pentyl hypofluorite.

Molecular Properties

Compound Name1-pentoxypentane;pentyl hypofluorite
PubChem CID174949385
Molecular FormulaC15H33FO2
Molecular Weight264.42 g/mol
Exact Mass264.25
IUPAC Name1-pentoxypentane;pentyl hypofluorite
SMILESCCCCCOCCCCC.CCCCCOF
InChIInChI=1S/C10H22O.C5H11FO/c1-3-5-7-9-11-10-8-6-4-2;1-2-3-4-5-7-6/h3-10H2,1-2H3;2-5H2,1H3
InChIKeyLACSBPAVGBNSDP-UHFFFAOYSA-N
XLogP5.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.42
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-dodecoxyhexadecane
CID 22256973
1-decoxydocosane
CID 87077677
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729
1-hexacosoxyhexacosane
CID 56611156
1-(2-decoxyethoxy)decane
CID 14009354
1-hexoxyhexane;yttrium
CID 87066735
1-[2-[2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]heptane
CID 150797704
methane;1-pentoxypentane;hydrate
CID 175598954

Frequently Asked Questions

What is the IUPAC name of 1-pentoxypentane;pentyl hypofluorite?
The IUPAC name of 1-pentoxypentane;pentyl hypofluorite (CID 174949385) is 1-pentoxypentane;pentyl hypofluorite.
What is the SMILES notation for 1-pentoxypentane;pentyl hypofluorite?
The canonical SMILES for 1-pentoxypentane;pentyl hypofluorite is CCCCCOCCCCC.CCCCCOF.
What is the InChIKey of 1-pentoxypentane;pentyl hypofluorite?
The InChIKey is LACSBPAVGBNSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O.C5H11FO/c1-3-5-7-9-11-10-8-6-4-2;1-2-3-4-5-7-6/h3-10H2,1-2H3;2-5H2,1H3.
What are the key properties of 1-pentoxypentane;pentyl hypofluorite?
1-pentoxypentane;pentyl hypofluorite has a molecular weight of 264.42 g/mol, XLogP of 5.46, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentoxypentane;pentyl hypofluorite is sourced from PubChem (CID 174949385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).