2,2,3,3,3-pentafluoro-1-(furan-2-yl)-1-(4-methoxyphenyl)propan-1-ol

C14H11F5O3 — CID 162511568

IUPAC2,2,3,3,3-pentafluoro-1-(furan-2-yl)-1-(4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(C(O)(c2ccco2)C(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C14H11F5O3/c1-21-10-6-4-9(5-7-10)12(20,11-3-2-8-22-11)13(15,16)14(17,18)19/h2-8,20H,1H3
InChIKeySAMABBVPIPGHQV-UHFFFAOYSA-N
MW322.23 g/mol
LogP3.72
Rot. Bonds4

About 2,2,3,3,3-pentafluoro-1-(furan-2-yl)-1-(4-methoxyphenyl)propan-1-ol

2,2,3,3,3-pentafluoro-1-(furan-2-yl)-1-(4-methoxyphenyl)propan-1-ol (PubChem CID 162511568) has the molecular formula C14H11F5O3 and a molecular weight of 322.23 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-1-(furan-2-yl)-1-(4-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-1-(furan-2-yl)-1-(4-methoxyphenyl)propan-1-ol
PubChem CID162511568
Molecular FormulaC14H11F5O3
Molecular Weight322.23 g/mol
Exact Mass322.06
IUPAC Name2,2,3,3,3-pentafluoro-1-(furan-2-yl)-1-(4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(C(O)(c2ccco2)C(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C14H11F5O3/c1-21-10-6-4-9(5-7-10)12(20,11-3-2-8-22-11)13(15,16)14(17,18)19/h2-8,20H,1H3
InChIKeySAMABBVPIPGHQV-UHFFFAOYSA-N
XLogP3.72
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.23
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2,3,3,3-pentafluoro-1-(furan-2-yl)-1-(4-methoxyphenyl)propan-1-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 2,2,3,3,3-pentafluoro-1-(furan-2-yl)-1-(4-methoxyphenyl)propan-1-ol?
The IUPAC name of 2,2,3,3,3-pentafluoro-1-(furan-2-yl)-1-(4-methoxyphenyl)propan-1-ol (CID 162511568) is 2,2,3,3,3-pentafluoro-1-(furan-2-yl)-1-(4-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-1-(furan-2-yl)-1-(4-methoxyphenyl)propan-1-ol?
The canonical SMILES for 2,2,3,3,3-pentafluoro-1-(furan-2-yl)-1-(4-methoxyphenyl)propan-1-ol is COc1ccc(C(O)(c2ccco2)C(F)(F)C(F)(F)F)cc1.
What is the InChIKey of 2,2,3,3,3-pentafluoro-1-(furan-2-yl)-1-(4-methoxyphenyl)propan-1-ol?
The InChIKey is SAMABBVPIPGHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F5O3/c1-21-10-6-4-9(5-7-10)12(20,11-3-2-8-22-11)13(15,16)14(17,18)19/h2-8,20H,1H3.
What are the key properties of 2,2,3,3,3-pentafluoro-1-(furan-2-yl)-1-(4-methoxyphenyl)propan-1-ol?
2,2,3,3,3-pentafluoro-1-(furan-2-yl)-1-(4-methoxyphenyl)propan-1-ol has a molecular weight of 322.23 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-1-(furan-2-yl)-1-(4-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 162511568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).