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

C13H8ClF5O2 — CID 162511679

IUPAC1-(2-chlorophenyl)-2,2,3,3,3-pentafluoro-1-(furan-3-yl)propan-1-ol
SMILESOC(c1ccoc1)(c1ccccc1Cl)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H8ClF5O2/c14-10-4-2-1-3-9(10)11(20,8-5-6-21-7-8)12(15,16)13(17,18)19/h1-7,20H
InChIKeyCBPPYFOAVPKSNJ-UHFFFAOYSA-N
MW326.65 g/mol
LogP4.37
Rot. Bonds3

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

1-(2-chlorophenyl)-2,2,3,3,3-pentafluoro-1-(furan-3-yl)propan-1-ol (PubChem CID 162511679) has the molecular formula C13H8ClF5O2 and a molecular weight of 326.65 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2,2,3,3,3-pentafluoro-1-(furan-3-yl)propan-1-ol.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2,2,3,3,3-pentafluoro-1-(furan-3-yl)propan-1-ol
PubChem CID162511679
Molecular FormulaC13H8ClF5O2
Molecular Weight326.65 g/mol
Exact Mass326.01
IUPAC Name1-(2-chlorophenyl)-2,2,3,3,3-pentafluoro-1-(furan-3-yl)propan-1-ol
SMILESOC(c1ccoc1)(c1ccccc1Cl)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H8ClF5O2/c14-10-4-2-1-3-9(10)11(20,8-5-6-21-7-8)12(15,16)13(17,18)19/h1-7,20H
InChIKeyCBPPYFOAVPKSNJ-UHFFFAOYSA-N
XLogP4.37
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.65
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2,2,3,3,3-pentafluoro-1-(furan-3-yl)propan-1-ol?
The IUPAC name of 1-(2-chlorophenyl)-2,2,3,3,3-pentafluoro-1-(furan-3-yl)propan-1-ol (CID 162511679) is 1-(2-chlorophenyl)-2,2,3,3,3-pentafluoro-1-(furan-3-yl)propan-1-ol.
What is the SMILES notation for 1-(2-chlorophenyl)-2,2,3,3,3-pentafluoro-1-(furan-3-yl)propan-1-ol?
The canonical SMILES for 1-(2-chlorophenyl)-2,2,3,3,3-pentafluoro-1-(furan-3-yl)propan-1-ol is OC(c1ccoc1)(c1ccccc1Cl)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-(2-chlorophenyl)-2,2,3,3,3-pentafluoro-1-(furan-3-yl)propan-1-ol?
The InChIKey is CBPPYFOAVPKSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF5O2/c14-10-4-2-1-3-9(10)11(20,8-5-6-21-7-8)12(15,16)13(17,18)19/h1-7,20H.
What are the key properties of 1-(2-chlorophenyl)-2,2,3,3,3-pentafluoro-1-(furan-3-yl)propan-1-ol?
1-(2-chlorophenyl)-2,2,3,3,3-pentafluoro-1-(furan-3-yl)propan-1-ol has a molecular weight of 326.65 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2,2,3,3,3-pentafluoro-1-(furan-3-yl)propan-1-ol is sourced from PubChem (CID 162511679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).