2-pentyl-5-(trifluoromethyl)oxolane

C10H17F3O — CID 15074575

IUPAC2-pentyl-5-(trifluoromethyl)oxolane
SMILESCCCCCC1CCC(C(F)(F)F)O1
InChIInChI=1S/C10H17F3O/c1-2-3-4-5-8-6-7-9(14-8)10(11,12)13/h8-9H,2-7H2,1H3
InChIKeyNVWFEPRZJILBNA-UHFFFAOYSA-N
MW210.24 g/mol
LogP3.68
Rot. Bonds4

About 2-pentyl-5-(trifluoromethyl)oxolane

2-pentyl-5-(trifluoromethyl)oxolane (PubChem CID 15074575) has the molecular formula C10H17F3O and a molecular weight of 210.24 g/mol. Its IUPAC name is 2-pentyl-5-(trifluoromethyl)oxolane.

Molecular Properties

Compound Name2-pentyl-5-(trifluoromethyl)oxolane
PubChem CID15074575
Molecular FormulaC10H17F3O
Molecular Weight210.24 g/mol
Exact Mass210.12
IUPAC Name2-pentyl-5-(trifluoromethyl)oxolane
SMILESCCCCCC1CCC(C(F)(F)F)O1
InChIInChI=1S/C10H17F3O/c1-2-3-4-5-8-6-7-9(14-8)10(11,12)13/h8-9H,2-7H2,1H3
InChIKeyNVWFEPRZJILBNA-UHFFFAOYSA-N
XLogP3.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 53.68
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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Frequently Asked Questions

What is the IUPAC name of 2-pentyl-5-(trifluoromethyl)oxolane?
The IUPAC name of 2-pentyl-5-(trifluoromethyl)oxolane (CID 15074575) is 2-pentyl-5-(trifluoromethyl)oxolane.
What is the SMILES notation for 2-pentyl-5-(trifluoromethyl)oxolane?
The canonical SMILES for 2-pentyl-5-(trifluoromethyl)oxolane is CCCCCC1CCC(C(F)(F)F)O1.
What is the InChIKey of 2-pentyl-5-(trifluoromethyl)oxolane?
The InChIKey is NVWFEPRZJILBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3O/c1-2-3-4-5-8-6-7-9(14-8)10(11,12)13/h8-9H,2-7H2,1H3.
What are the key properties of 2-pentyl-5-(trifluoromethyl)oxolane?
2-pentyl-5-(trifluoromethyl)oxolane has a molecular weight of 210.24 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyl-5-(trifluoromethyl)oxolane is sourced from PubChem (CID 15074575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).