1,5-bis(2,2,2-trifluoroethoxy)pentane

C9H14F6O2 — CID 86177500

IUPAC1,5-bis(2,2,2-trifluoroethoxy)pentane
SMILESFC(F)(F)COCCCCCOCC(F)(F)F
InChIInChI=1S/C9H14F6O2/c10-8(11,12)6-16-4-2-1-3-5-17-7-9(13,14)15/h1-7H2
InChIKeyYGZLCBSKWKPLOP-UHFFFAOYSA-N
MW268.20 g/mol
LogP3.31
Rot. Bonds8

About 1,5-bis(2,2,2-trifluoroethoxy)pentane

1,5-bis(2,2,2-trifluoroethoxy)pentane (PubChem CID 86177500) has the molecular formula C9H14F6O2 and a molecular weight of 268.20 g/mol. Its IUPAC name is 1,5-bis(2,2,2-trifluoroethoxy)pentane.

Molecular Properties

Compound Name1,5-bis(2,2,2-trifluoroethoxy)pentane
PubChem CID86177500
Molecular FormulaC9H14F6O2
Molecular Weight268.20 g/mol
Exact Mass268.09
IUPAC Name1,5-bis(2,2,2-trifluoroethoxy)pentane
SMILESFC(F)(F)COCCCCCOCC(F)(F)F
InChIInChI=1S/C9H14F6O2/c10-8(11,12)6-16-4-2-1-3-5-17-7-9(13,14)15/h1-7H2
InChIKeyYGZLCBSKWKPLOP-UHFFFAOYSA-N
XLogP3.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.20
LogP ≤ 53.31
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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Frequently Asked Questions

What is the IUPAC name of 1,5-bis(2,2,2-trifluoroethoxy)pentane?
The IUPAC name of 1,5-bis(2,2,2-trifluoroethoxy)pentane (CID 86177500) is 1,5-bis(2,2,2-trifluoroethoxy)pentane.
What is the SMILES notation for 1,5-bis(2,2,2-trifluoroethoxy)pentane?
The canonical SMILES for 1,5-bis(2,2,2-trifluoroethoxy)pentane is FC(F)(F)COCCCCCOCC(F)(F)F.
What is the InChIKey of 1,5-bis(2,2,2-trifluoroethoxy)pentane?
The InChIKey is YGZLCBSKWKPLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F6O2/c10-8(11,12)6-16-4-2-1-3-5-17-7-9(13,14)15/h1-7H2.
What are the key properties of 1,5-bis(2,2,2-trifluoroethoxy)pentane?
1,5-bis(2,2,2-trifluoroethoxy)pentane has a molecular weight of 268.20 g/mol, XLogP of 3.31, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(2,2,2-trifluoroethoxy)pentane is sourced from PubChem (CID 86177500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).