2-(2-fluorophenyl)-3-[3-(trifluoromethyl)phenoxy]propan-1-ol

C16H14F4O2 — CID 117244014

IUPAC2-(2-fluorophenyl)-3-[3-(trifluoromethyl)phenoxy]propan-1-ol
SMILESOCC(COc1cccc(C(F)(F)F)c1)c1ccccc1F
InChIInChI=1S/C16H14F4O2/c17-15-7-2-1-6-14(15)11(9-21)10-22-13-5-3-4-12(8-13)16(18,19)20/h1-8,11,21H,9-10H2
InChIKeyLWTZUWRTKGCCSD-UHFFFAOYSA-N
MW314.28 g/mol
LogP4.00
Rot. Bonds5

About 2-(2-fluorophenyl)-3-[3-(trifluoromethyl)phenoxy]propan-1-ol

2-(2-fluorophenyl)-3-[3-(trifluoromethyl)phenoxy]propan-1-ol (PubChem CID 117244014) has the molecular formula C16H14F4O2 and a molecular weight of 314.28 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-3-[3-(trifluoromethyl)phenoxy]propan-1-ol.

Molecular Properties

Compound Name2-(2-fluorophenyl)-3-[3-(trifluoromethyl)phenoxy]propan-1-ol
PubChem CID117244014
Molecular FormulaC16H14F4O2
Molecular Weight314.28 g/mol
Exact Mass314.09
IUPAC Name2-(2-fluorophenyl)-3-[3-(trifluoromethyl)phenoxy]propan-1-ol
SMILESOCC(COc1cccc(C(F)(F)F)c1)c1ccccc1F
InChIInChI=1S/C16H14F4O2/c17-15-7-2-1-6-14(15)11(9-21)10-22-13-5-3-4-12(8-13)16(18,19)20/h1-8,11,21H,9-10H2
InChIKeyLWTZUWRTKGCCSD-UHFFFAOYSA-N
XLogP4.00
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.28
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-fluorophenoxy)-2-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 117243023
2-[1-amino-2-[3-(trifluoromethyl)phenoxy]ethyl]phenol
CID 117243705
2-(2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
CID 106706505
2-(2-fluorophenyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 117244064
4,4-dimethyl-2-[[3-(trifluoromethyl)phenoxy]methyl]pentan-1-ol
CID 117241893
3-[3-(trifluoromethyl)phenoxy]propan-1-ol
CID 67274409
4-methyl-1-[3-(trifluoromethyl)phenoxy]pentan-2-ol
CID 117241710
1-phenyl-2-[3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride
CID 164622114
4-hydroxy-2-[[3-(trifluoromethyl)phenoxy]methyl]butanoic acid
CID 117237021
1-(trifluoromethyl)-3-[3-[3-(trifluoromethyl)phenoxy]propoxy]benzene
CID 2766200
1-(2-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanol
CID 63084701
1-[3-(trifluoromethyl)phenoxy]butan-2-amine
CID 11009853

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-3-[3-(trifluoromethyl)phenoxy]propan-1-ol?
The IUPAC name of 2-(2-fluorophenyl)-3-[3-(trifluoromethyl)phenoxy]propan-1-ol (CID 117244014) is 2-(2-fluorophenyl)-3-[3-(trifluoromethyl)phenoxy]propan-1-ol.
What is the SMILES notation for 2-(2-fluorophenyl)-3-[3-(trifluoromethyl)phenoxy]propan-1-ol?
The canonical SMILES for 2-(2-fluorophenyl)-3-[3-(trifluoromethyl)phenoxy]propan-1-ol is OCC(COc1cccc(C(F)(F)F)c1)c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-3-[3-(trifluoromethyl)phenoxy]propan-1-ol?
The InChIKey is LWTZUWRTKGCCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F4O2/c17-15-7-2-1-6-14(15)11(9-21)10-22-13-5-3-4-12(8-13)16(18,19)20/h1-8,11,21H,9-10H2.
What are the key properties of 2-(2-fluorophenyl)-3-[3-(trifluoromethyl)phenoxy]propan-1-ol?
2-(2-fluorophenyl)-3-[3-(trifluoromethyl)phenoxy]propan-1-ol has a molecular weight of 314.28 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-3-[3-(trifluoromethyl)phenoxy]propan-1-ol is sourced from PubChem (CID 117244014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).