2-hydroxy-5-(4-phenylphenyl)-2-(trifluoromethyl)-3H-furan-4-carbonitrile

C18H12F3NO2 — CID 175287227

IUPAC2-hydroxy-5-(4-phenylphenyl)-2-(trifluoromethyl)-3H-furan-4-carbonitrile
SMILESN#CC1=C(c2ccc(-c3ccccc3)cc2)OC(O)(C(F)(F)F)C1
InChIInChI=1S/C18H12F3NO2/c19-18(20,21)17(23)10-15(11-22)16(24-17)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,23H,10H2
InChIKeyVORARRKLZVMJSU-UHFFFAOYSA-N
MW331.29 g/mol
LogP4.26
Rot. Bonds2

About 2-hydroxy-5-(4-phenylphenyl)-2-(trifluoromethyl)-3H-furan-4-carbonitrile

2-hydroxy-5-(4-phenylphenyl)-2-(trifluoromethyl)-3H-furan-4-carbonitrile (PubChem CID 175287227) has the molecular formula C18H12F3NO2 and a molecular weight of 331.29 g/mol. Its IUPAC name is 2-hydroxy-5-(4-phenylphenyl)-2-(trifluoromethyl)-3H-furan-4-carbonitrile.

Molecular Properties

Compound Name2-hydroxy-5-(4-phenylphenyl)-2-(trifluoromethyl)-3H-furan-4-carbonitrile
PubChem CID175287227
Molecular FormulaC18H12F3NO2
Molecular Weight331.29 g/mol
Exact Mass331.08
IUPAC Name2-hydroxy-5-(4-phenylphenyl)-2-(trifluoromethyl)-3H-furan-4-carbonitrile
SMILESN#CC1=C(c2ccc(-c3ccccc3)cc2)OC(O)(C(F)(F)F)C1
InChIInChI=1S/C18H12F3NO2/c19-18(20,21)17(23)10-15(11-22)16(24-17)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,23H,10H2
InChIKeyVORARRKLZVMJSU-UHFFFAOYSA-N
XLogP4.26
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 11703566
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CID 44597549
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CID 102170006
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CID 135003172
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CID 15324049
CID 15324049
CID 17916610
CID 17916610
CID 17916629
CID 17916629
CID 17916652
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CID 19967857
CID 19967857
CID 20618036
CID 20618036
CID 68014453
CID 68014453
CID 69856000
CID 69856000

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-(4-phenylphenyl)-2-(trifluoromethyl)-3H-furan-4-carbonitrile?
The IUPAC name of 2-hydroxy-5-(4-phenylphenyl)-2-(trifluoromethyl)-3H-furan-4-carbonitrile (CID 175287227) is 2-hydroxy-5-(4-phenylphenyl)-2-(trifluoromethyl)-3H-furan-4-carbonitrile.
What is the SMILES notation for 2-hydroxy-5-(4-phenylphenyl)-2-(trifluoromethyl)-3H-furan-4-carbonitrile?
The canonical SMILES for 2-hydroxy-5-(4-phenylphenyl)-2-(trifluoromethyl)-3H-furan-4-carbonitrile is N#CC1=C(c2ccc(-c3ccccc3)cc2)OC(O)(C(F)(F)F)C1.
What is the InChIKey of 2-hydroxy-5-(4-phenylphenyl)-2-(trifluoromethyl)-3H-furan-4-carbonitrile?
The InChIKey is VORARRKLZVMJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3NO2/c19-18(20,21)17(23)10-15(11-22)16(24-17)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,23H,10H2.
What are the key properties of 2-hydroxy-5-(4-phenylphenyl)-2-(trifluoromethyl)-3H-furan-4-carbonitrile?
2-hydroxy-5-(4-phenylphenyl)-2-(trifluoromethyl)-3H-furan-4-carbonitrile has a molecular weight of 331.29 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-(4-phenylphenyl)-2-(trifluoromethyl)-3H-furan-4-carbonitrile is sourced from PubChem (CID 175287227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).