3,3,3-trifluoro-1-(4-fluorophenyl)propan-1-ol

C9H8F4O — CID 61101581

IUPAC3,3,3-trifluoro-1-(4-fluorophenyl)propan-1-ol
SMILESOC(CC(F)(F)F)c1ccc(F)cc1
InChIInChI=1S/C9H8F4O/c10-7-3-1-6(2-4-7)8(14)5-9(11,12)13/h1-4,8,14H,5H2
InChIKeyPFGPZGIDYIBJJX-UHFFFAOYSA-N
MW208.15 g/mol
LogP2.81
Rot. Bonds2

About 3,3,3-trifluoro-1-(4-fluorophenyl)propan-1-ol

3,3,3-trifluoro-1-(4-fluorophenyl)propan-1-ol (PubChem CID 61101581) has the molecular formula C9H8F4O and a molecular weight of 208.15 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(4-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(4-fluorophenyl)propan-1-ol
PubChem CID61101581
Molecular FormulaC9H8F4O
Molecular Weight208.15 g/mol
Exact Mass208.05
IUPAC Name3,3,3-trifluoro-1-(4-fluorophenyl)propan-1-ol
SMILESOC(CC(F)(F)F)c1ccc(F)cc1
InChIInChI=1S/C9H8F4O/c10-7-3-1-6(2-4-7)8(14)5-9(11,12)13/h1-4,8,14H,5H2
InChIKeyPFGPZGIDYIBJJX-UHFFFAOYSA-N
XLogP2.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.15
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(4-fluorophenyl)propan-1-ol?
The IUPAC name of 3,3,3-trifluoro-1-(4-fluorophenyl)propan-1-ol (CID 61101581) is 3,3,3-trifluoro-1-(4-fluorophenyl)propan-1-ol.
What is the SMILES notation for 3,3,3-trifluoro-1-(4-fluorophenyl)propan-1-ol?
The canonical SMILES for 3,3,3-trifluoro-1-(4-fluorophenyl)propan-1-ol is OC(CC(F)(F)F)c1ccc(F)cc1.
What is the InChIKey of 3,3,3-trifluoro-1-(4-fluorophenyl)propan-1-ol?
The InChIKey is PFGPZGIDYIBJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F4O/c10-7-3-1-6(2-4-7)8(14)5-9(11,12)13/h1-4,8,14H,5H2.
What are the key properties of 3,3,3-trifluoro-1-(4-fluorophenyl)propan-1-ol?
3,3,3-trifluoro-1-(4-fluorophenyl)propan-1-ol has a molecular weight of 208.15 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-(4-fluorophenyl)propan-1-ol is sourced from PubChem (CID 61101581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).