ethane;1-fluoro-15-pentoxypentadecane

C22H47FO — CID 145255757

IUPACethane;1-fluoro-15-pentoxypentadecane
SMILESCC.CCCCCOCCCCCCCCCCCCCCCF
InChIInChI=1S/C20H41FO.C2H6/c1-2-3-16-19-22-20-17-14-12-10-8-6-4-5-7-9-11-13-15-18-21;1-2/h2-20H2,1H3;1-2H3
InChIKeyMSGSQDNTXYJEHB-UHFFFAOYSA-N
MW346.62 g/mol
LogP8.26
Rot. Bonds19

About ethane;1-fluoro-15-pentoxypentadecane

ethane;1-fluoro-15-pentoxypentadecane (PubChem CID 145255757) has the molecular formula C22H47FO and a molecular weight of 346.62 g/mol. Its IUPAC name is ethane;1-fluoro-15-pentoxypentadecane.

Molecular Properties

Compound Nameethane;1-fluoro-15-pentoxypentadecane
PubChem CID145255757
Molecular FormulaC22H47FO
Molecular Weight346.62 g/mol
Exact Mass346.36
IUPAC Nameethane;1-fluoro-15-pentoxypentadecane
SMILESCC.CCCCCOCCCCCCCCCCCCCCCF
InChIInChI=1S/C20H41FO.C2H6/c1-2-3-16-19-22-20-17-14-12-10-8-6-4-5-7-9-11-13-15-18-21;1-2/h2-20H2,1H3;1-2H3
InChIKeyMSGSQDNTXYJEHB-UHFFFAOYSA-N
XLogP8.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.62
LogP ≤ 58.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-ethoxy-14-(8-fluorooctoxy)tetradecane
CID 139714700
1-hexoxyhexane;yttrium
CID 87066735
1-[2-[2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]heptane
CID 150797704
1-[2-(2-tetradecoxyethoxy)ethoxy]tetradecane
CID 10743953

Frequently Asked Questions

What is the IUPAC name of ethane;1-fluoro-15-pentoxypentadecane?
The IUPAC name of ethane;1-fluoro-15-pentoxypentadecane (CID 145255757) is ethane;1-fluoro-15-pentoxypentadecane.
What is the SMILES notation for ethane;1-fluoro-15-pentoxypentadecane?
The canonical SMILES for ethane;1-fluoro-15-pentoxypentadecane is CC.CCCCCOCCCCCCCCCCCCCCCF.
What is the InChIKey of ethane;1-fluoro-15-pentoxypentadecane?
The InChIKey is MSGSQDNTXYJEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41FO.C2H6/c1-2-3-16-19-22-20-17-14-12-10-8-6-4-5-7-9-11-13-15-18-21;1-2/h2-20H2,1H3;1-2H3.
What are the key properties of ethane;1-fluoro-15-pentoxypentadecane?
ethane;1-fluoro-15-pentoxypentadecane has a molecular weight of 346.62 g/mol, XLogP of 8.26, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-fluoro-15-pentoxypentadecane is sourced from PubChem (CID 145255757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).