2,2,3,3,3-pentafluoro-1-[3-(trifluoromethyl)phenyl]propan-1-ol

C10H6F8O — CID 162511327

IUPAC2,2,3,3,3-pentafluoro-1-[3-(trifluoromethyl)phenyl]propan-1-ol
SMILESOC(c1cccc(C(F)(F)F)c1)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H6F8O/c11-8(12,10(16,17)18)7(19)5-2-1-3-6(4-5)9(13,14)15/h1-4,7,19H
InChIKeyRELUNUMLQLQXAP-UHFFFAOYSA-N
MW294.14 g/mol
LogP3.94
Rot. Bonds2

About 2,2,3,3,3-pentafluoro-1-[3-(trifluoromethyl)phenyl]propan-1-ol

2,2,3,3,3-pentafluoro-1-[3-(trifluoromethyl)phenyl]propan-1-ol (PubChem CID 162511327) has the molecular formula C10H6F8O and a molecular weight of 294.14 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-1-[3-(trifluoromethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-1-[3-(trifluoromethyl)phenyl]propan-1-ol
PubChem CID162511327
Molecular FormulaC10H6F8O
Molecular Weight294.14 g/mol
Exact Mass294.03
IUPAC Name2,2,3,3,3-pentafluoro-1-[3-(trifluoromethyl)phenyl]propan-1-ol
SMILESOC(c1cccc(C(F)(F)F)c1)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H6F8O/c11-8(12,10(16,17)18)7(19)5-2-1-3-6(4-5)9(13,14)15/h1-4,7,19H
InChIKeyRELUNUMLQLQXAP-UHFFFAOYSA-N
XLogP3.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.14
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2-difluoro-3-hydroxy-3-[3-(trifluoromethyl)phenyl]propanoic acid
CID 62396852
(1S)-2,2,3,3,3-pentafluoro-1-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 171311708
2-amino-1-[3-(trifluoromethyl)phenyl]ethanol
CID 30514
2-(diethylamino)-2-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 79053452
(1S,2S)-1-amino-1-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 129052960
CID 162573398
CID 162573398
pyridin-4-yl-[3-(trifluoromethyl)phenyl]methanol
CID 11425288
2-methylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanol
CID 62791843
3-methyl-1-[3-(trifluoromethyl)phenyl]but-2-en-1-ol
CID 59652784
3-bromo-1-[3-(trifluoromethyl)phenyl]propane-1,2-diol
CID 171860229
4-[3-(trifluoromethyl)phenyl]pentan-2-ol
CID 64718997
(3,5-dibromophenyl)-[3-(trifluoromethyl)phenyl]methanol
CID 107978303

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-1-[3-(trifluoromethyl)phenyl]propan-1-ol?
The IUPAC name of 2,2,3,3,3-pentafluoro-1-[3-(trifluoromethyl)phenyl]propan-1-ol (CID 162511327) is 2,2,3,3,3-pentafluoro-1-[3-(trifluoromethyl)phenyl]propan-1-ol.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-1-[3-(trifluoromethyl)phenyl]propan-1-ol?
The canonical SMILES for 2,2,3,3,3-pentafluoro-1-[3-(trifluoromethyl)phenyl]propan-1-ol is OC(c1cccc(C(F)(F)F)c1)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoro-1-[3-(trifluoromethyl)phenyl]propan-1-ol?
The InChIKey is RELUNUMLQLQXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F8O/c11-8(12,10(16,17)18)7(19)5-2-1-3-6(4-5)9(13,14)15/h1-4,7,19H.
What are the key properties of 2,2,3,3,3-pentafluoro-1-[3-(trifluoromethyl)phenyl]propan-1-ol?
2,2,3,3,3-pentafluoro-1-[3-(trifluoromethyl)phenyl]propan-1-ol has a molecular weight of 294.14 g/mol, XLogP of 3.94, 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-[3-(trifluoromethyl)phenyl]propan-1-ol is sourced from PubChem (CID 162511327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).