1,1,1-trifluoro-5-propoxypentan-2-ol

C8H15F3O2 — CID 19690300

IUPAC1,1,1-trifluoro-5-propoxypentan-2-ol
SMILESCCCOCCCC(O)C(F)(F)F
InChIInChI=1S/C8H15F3O2/c1-2-5-13-6-3-4-7(12)8(9,10)11/h7,12H,2-6H2,1H3
InChIKeyUXYCEZWJLSONME-UHFFFAOYSA-N
MW200.20 g/mol
LogP2.12
Rot. Bonds6

About 1,1,1-trifluoro-5-propoxypentan-2-ol

1,1,1-trifluoro-5-propoxypentan-2-ol (PubChem CID 19690300) has the molecular formula C8H15F3O2 and a molecular weight of 200.20 g/mol. Its IUPAC name is 1,1,1-trifluoro-5-propoxypentan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-5-propoxypentan-2-ol
PubChem CID19690300
Molecular FormulaC8H15F3O2
Molecular Weight200.20 g/mol
Exact Mass200.10
IUPAC Name1,1,1-trifluoro-5-propoxypentan-2-ol
SMILESCCCOCCCC(O)C(F)(F)F
InChIInChI=1S/C8H15F3O2/c1-2-5-13-6-3-4-7(12)8(9,10)11/h7,12H,2-6H2,1H3
InChIKeyUXYCEZWJLSONME-UHFFFAOYSA-N
XLogP2.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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 1,1,1-trifluoro-5-propoxypentan-2-ol?
The IUPAC name of 1,1,1-trifluoro-5-propoxypentan-2-ol (CID 19690300) is 1,1,1-trifluoro-5-propoxypentan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-5-propoxypentan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-5-propoxypentan-2-ol is CCCOCCCC(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-5-propoxypentan-2-ol?
The InChIKey is UXYCEZWJLSONME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3O2/c1-2-5-13-6-3-4-7(12)8(9,10)11/h7,12H,2-6H2,1H3.
What are the key properties of 1,1,1-trifluoro-5-propoxypentan-2-ol?
1,1,1-trifluoro-5-propoxypentan-2-ol has a molecular weight of 200.20 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-5-propoxypentan-2-ol is sourced from PubChem (CID 19690300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).