1,5-bis(2,2,2-trifluoroethoxy)pentan-3-ol

C9H14F6O3 — CID 175980000

IUPAC1,5-bis(2,2,2-trifluoroethoxy)pentan-3-ol
SMILESOC(CCOCC(F)(F)F)CCOCC(F)(F)F
InChIInChI=1S/C9H14F6O3/c10-8(11,12)5-17-3-1-7(16)2-4-18-6-9(13,14)15/h7,16H,1-6H2
InChIKeyPPZDXRICFGIPHM-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.29
Rot. Bonds8

About 1,5-bis(2,2,2-trifluoroethoxy)pentan-3-ol

1,5-bis(2,2,2-trifluoroethoxy)pentan-3-ol (PubChem CID 175980000) has the molecular formula C9H14F6O3 and a molecular weight of 284.20 g/mol. Its IUPAC name is 1,5-bis(2,2,2-trifluoroethoxy)pentan-3-ol.

Molecular Properties

Compound Name1,5-bis(2,2,2-trifluoroethoxy)pentan-3-ol
PubChem CID175980000
Molecular FormulaC9H14F6O3
Molecular Weight284.20 g/mol
Exact Mass284.08
IUPAC Name1,5-bis(2,2,2-trifluoroethoxy)pentan-3-ol
SMILESOC(CCOCC(F)(F)F)CCOCC(F)(F)F
InChIInChI=1S/C9H14F6O3/c10-8(11,12)5-17-3-1-7(16)2-4-18-6-9(13,14)15/h7,16H,1-6H2
InChIKeyPPZDXRICFGIPHM-UHFFFAOYSA-N
XLogP2.29
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1,5-bis(2,2,2-trifluoroethoxy)pentan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,5-bis(2,2,2-trifluoroethoxy)pentan-3-ol?
The IUPAC name of 1,5-bis(2,2,2-trifluoroethoxy)pentan-3-ol (CID 175980000) is 1,5-bis(2,2,2-trifluoroethoxy)pentan-3-ol.
What is the SMILES notation for 1,5-bis(2,2,2-trifluoroethoxy)pentan-3-ol?
The canonical SMILES for 1,5-bis(2,2,2-trifluoroethoxy)pentan-3-ol is OC(CCOCC(F)(F)F)CCOCC(F)(F)F.
What is the InChIKey of 1,5-bis(2,2,2-trifluoroethoxy)pentan-3-ol?
The InChIKey is PPZDXRICFGIPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F6O3/c10-8(11,12)5-17-3-1-7(16)2-4-18-6-9(13,14)15/h7,16H,1-6H2.
What are the key properties of 1,5-bis(2,2,2-trifluoroethoxy)pentan-3-ol?
1,5-bis(2,2,2-trifluoroethoxy)pentan-3-ol has a molecular weight of 284.20 g/mol, XLogP of 2.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(2,2,2-trifluoroethoxy)pentan-3-ol is sourced from PubChem (CID 175980000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).