2,2,3,3,3-pentafluoro-1-(2,3,4,5,6-pentamethylphenyl)propan-1-ol

C14H17F5O — CID 63425918

IUPAC2,2,3,3,3-pentafluoro-1-(2,3,4,5,6-pentamethylphenyl)propan-1-ol
SMILESCc1c(C)c(C)c(C(O)C(F)(F)C(F)(F)F)c(C)c1C
InChIInChI=1S/C14H17F5O/c1-6-7(2)9(4)11(10(5)8(6)3)12(20)13(15,16)14(17,18)19/h12,20H,1-5H3
InChIKeySLPJLCCIOXOGED-UHFFFAOYSA-N
MW296.28 g/mol
LogP4.46
Rot. Bonds2

About 2,2,3,3,3-pentafluoro-1-(2,3,4,5,6-pentamethylphenyl)propan-1-ol

2,2,3,3,3-pentafluoro-1-(2,3,4,5,6-pentamethylphenyl)propan-1-ol (PubChem CID 63425918) has the molecular formula C14H17F5O and a molecular weight of 296.28 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-1-(2,3,4,5,6-pentamethylphenyl)propan-1-ol.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-1-(2,3,4,5,6-pentamethylphenyl)propan-1-ol
PubChem CID63425918
Molecular FormulaC14H17F5O
Molecular Weight296.28 g/mol
Exact Mass296.12
IUPAC Name2,2,3,3,3-pentafluoro-1-(2,3,4,5,6-pentamethylphenyl)propan-1-ol
SMILESCc1c(C)c(C)c(C(O)C(F)(F)C(F)(F)F)c(C)c1C
InChIInChI=1S/C14H17F5O/c1-6-7(2)9(4)11(10(5)8(6)3)12(20)13(15,16)14(17,18)19/h12,20H,1-5H3
InChIKeySLPJLCCIOXOGED-UHFFFAOYSA-N
XLogP4.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2,2,3,3,3-pentafluoro-1-(2,3,4,5,6-pentamethylphenyl)propan-1-ol?
The IUPAC name of 2,2,3,3,3-pentafluoro-1-(2,3,4,5,6-pentamethylphenyl)propan-1-ol (CID 63425918) is 2,2,3,3,3-pentafluoro-1-(2,3,4,5,6-pentamethylphenyl)propan-1-ol.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-1-(2,3,4,5,6-pentamethylphenyl)propan-1-ol?
The canonical SMILES for 2,2,3,3,3-pentafluoro-1-(2,3,4,5,6-pentamethylphenyl)propan-1-ol is Cc1c(C)c(C)c(C(O)C(F)(F)C(F)(F)F)c(C)c1C.
What is the InChIKey of 2,2,3,3,3-pentafluoro-1-(2,3,4,5,6-pentamethylphenyl)propan-1-ol?
The InChIKey is SLPJLCCIOXOGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F5O/c1-6-7(2)9(4)11(10(5)8(6)3)12(20)13(15,16)14(17,18)19/h12,20H,1-5H3.
What are the key properties of 2,2,3,3,3-pentafluoro-1-(2,3,4,5,6-pentamethylphenyl)propan-1-ol?
2,2,3,3,3-pentafluoro-1-(2,3,4,5,6-pentamethylphenyl)propan-1-ol has a molecular weight of 296.28 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-1-(2,3,4,5,6-pentamethylphenyl)propan-1-ol is sourced from PubChem (CID 63425918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).