5-(3,3,3-trifluoropropoxy)pentan-1-ol

C8H15F3O2 — CID 59366540

IUPAC5-(3,3,3-trifluoropropoxy)pentan-1-ol
SMILESOCCCCCOCCC(F)(F)F
InChIInChI=1S/C8H15F3O2/c9-8(10,11)4-7-13-6-3-1-2-5-12/h12H,1-7H2
InChIKeyQXEKZOHNJYDJAE-UHFFFAOYSA-N
MW200.20 g/mol
LogP2.12
Rot. Bonds7

About 5-(3,3,3-trifluoropropoxy)pentan-1-ol

5-(3,3,3-trifluoropropoxy)pentan-1-ol (PubChem CID 59366540) has the molecular formula C8H15F3O2 and a molecular weight of 200.20 g/mol. Its IUPAC name is 5-(3,3,3-trifluoropropoxy)pentan-1-ol.

Molecular Properties

Compound Name5-(3,3,3-trifluoropropoxy)pentan-1-ol
PubChem CID59366540
Molecular FormulaC8H15F3O2
Molecular Weight200.20 g/mol
Exact Mass200.10
IUPAC Name5-(3,3,3-trifluoropropoxy)pentan-1-ol
SMILESOCCCCCOCCC(F)(F)F
InChIInChI=1S/C8H15F3O2/c9-8(10,11)4-7-13-6-3-1-2-5-12/h12H,1-7H2
InChIKeyQXEKZOHNJYDJAE-UHFFFAOYSA-N
XLogP2.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 52.12
H-Bond Donors ≤ 51
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 5-(3,3,3-trifluoropropoxy)pentan-1-ol?
The IUPAC name of 5-(3,3,3-trifluoropropoxy)pentan-1-ol (CID 59366540) is 5-(3,3,3-trifluoropropoxy)pentan-1-ol.
What is the SMILES notation for 5-(3,3,3-trifluoropropoxy)pentan-1-ol?
The canonical SMILES for 5-(3,3,3-trifluoropropoxy)pentan-1-ol is OCCCCCOCCC(F)(F)F.
What is the InChIKey of 5-(3,3,3-trifluoropropoxy)pentan-1-ol?
The InChIKey is QXEKZOHNJYDJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3O2/c9-8(10,11)4-7-13-6-3-1-2-5-12/h12H,1-7H2.
What are the key properties of 5-(3,3,3-trifluoropropoxy)pentan-1-ol?
5-(3,3,3-trifluoropropoxy)pentan-1-ol has a molecular weight of 200.20 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3,3-trifluoropropoxy)pentan-1-ol is sourced from PubChem (CID 59366540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).