1-(furan-3-yl)-1-[2-(trifluoromethyl)phenyl]ethanol

C13H11F3O2 — CID 115467245

IUPAC1-(furan-3-yl)-1-[2-(trifluoromethyl)phenyl]ethanol
SMILESCC(O)(c1ccoc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H11F3O2/c1-12(17,9-6-7-18-8-9)10-4-2-3-5-11(10)13(14,15)16/h2-8,17H,1H3
InChIKeyNQQYPABHCNSCLW-UHFFFAOYSA-N
MW256.22 g/mol
LogP3.55
Rot. Bonds2

About 1-(furan-3-yl)-1-[2-(trifluoromethyl)phenyl]ethanol

1-(furan-3-yl)-1-[2-(trifluoromethyl)phenyl]ethanol (PubChem CID 115467245) has the molecular formula C13H11F3O2 and a molecular weight of 256.22 g/mol. Its IUPAC name is 1-(furan-3-yl)-1-[2-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name1-(furan-3-yl)-1-[2-(trifluoromethyl)phenyl]ethanol
PubChem CID115467245
Molecular FormulaC13H11F3O2
Molecular Weight256.22 g/mol
Exact Mass256.07
IUPAC Name1-(furan-3-yl)-1-[2-(trifluoromethyl)phenyl]ethanol
SMILESCC(O)(c1ccoc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H11F3O2/c1-12(17,9-6-7-18-8-9)10-4-2-3-5-11(10)13(14,15)16/h2-8,17H,1H3
InChIKeyNQQYPABHCNSCLW-UHFFFAOYSA-N
XLogP3.55
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(furan-3-yl)-1-[2-(trifluoromethoxy)phenyl]ethanol
CID 115467220
1-(4-bromophenyl)-1-[2-(trifluoromethyl)phenyl]ethanol
CID 62802957
1-(3,4-dimethylphenyl)-1-[2-(trifluoromethyl)phenyl]ethanol
CID 62801465
1-(3-bromophenyl)-1-[2-(trifluoromethyl)phenyl]ethanol
CID 62802958
1-(2,5-dimethylphenyl)-1-(furan-3-yl)ethanol
CID 63950172
1-(2-fluorophenyl)-1-[2-(trifluoromethyl)phenyl]ethanol
CID 62802798
1-(3,4-dihydro-2H-chromen-8-yl)-1-(furan-3-yl)ethanol
CID 114743643
1-[2-(1-hydroxy-1-phenylethyl)phenyl]-1-phenylethanol
CID 139663259
1-(furan-3-yl)-1-thiophen-2-ylethanol
CID 63947725
1-(2-chlorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 62788125
2-(furan-3-yl)butan-2-ol
CID 63948542
1-amino-2-[2-(trifluoromethyl)phenyl]propan-2-ol
CID 62773576

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-1-[2-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 1-(furan-3-yl)-1-[2-(trifluoromethyl)phenyl]ethanol (CID 115467245) is 1-(furan-3-yl)-1-[2-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 1-(furan-3-yl)-1-[2-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 1-(furan-3-yl)-1-[2-(trifluoromethyl)phenyl]ethanol is CC(O)(c1ccoc1)c1ccccc1C(F)(F)F.
What is the InChIKey of 1-(furan-3-yl)-1-[2-(trifluoromethyl)phenyl]ethanol?
The InChIKey is NQQYPABHCNSCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3O2/c1-12(17,9-6-7-18-8-9)10-4-2-3-5-11(10)13(14,15)16/h2-8,17H,1H3.
What are the key properties of 1-(furan-3-yl)-1-[2-(trifluoromethyl)phenyl]ethanol?
1-(furan-3-yl)-1-[2-(trifluoromethyl)phenyl]ethanol has a molecular weight of 256.22 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)-1-[2-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 115467245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).