4-hydroxy-2-phenyl-3-[[3-(trifluoromethyl)phenyl]methylamino]cyclobut-2-en-1-one

C18H14F3NO2 — CID 10640378

IUPAC4-hydroxy-2-phenyl-3-[[3-(trifluoromethyl)phenyl]methylamino]cyclobut-2-en-1-one
SMILESO=C1C(c2ccccc2)=C(NCc2cccc(C(F)(F)F)c2)C1O
InChIInChI=1S/C18H14F3NO2/c19-18(20,21)13-8-4-5-11(9-13)10-22-15-14(16(23)17(15)24)12-6-2-1-3-7-12/h1-9,17,22,24H,10H2
InChIKeyMBPWBTUUOTZDPO-UHFFFAOYSA-N
MW333.31 g/mol
LogP3.15
Rot. Bonds4

About 4-hydroxy-2-phenyl-3-[[3-(trifluoromethyl)phenyl]methylamino]cyclobut-2-en-1-one

4-hydroxy-2-phenyl-3-[[3-(trifluoromethyl)phenyl]methylamino]cyclobut-2-en-1-one (PubChem CID 10640378) has the molecular formula C18H14F3NO2 and a molecular weight of 333.31 g/mol. Its IUPAC name is 4-hydroxy-2-phenyl-3-[[3-(trifluoromethyl)phenyl]methylamino]cyclobut-2-en-1-one.

Molecular Properties

Compound Name4-hydroxy-2-phenyl-3-[[3-(trifluoromethyl)phenyl]methylamino]cyclobut-2-en-1-one
PubChem CID10640378
Molecular FormulaC18H14F3NO2
Molecular Weight333.31 g/mol
Exact Mass333.10
IUPAC Name4-hydroxy-2-phenyl-3-[[3-(trifluoromethyl)phenyl]methylamino]cyclobut-2-en-1-one
SMILESO=C1C(c2ccccc2)=C(NCc2cccc(C(F)(F)F)c2)C1O
InChIInChI=1S/C18H14F3NO2/c19-18(20,21)13-8-4-5-11(9-13)10-22-15-14(16(23)17(15)24)12-6-2-1-3-7-12/h1-9,17,22,24H,10H2
InChIKeyMBPWBTUUOTZDPO-UHFFFAOYSA-N
XLogP3.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-4,4,4-trifluoro-3-[[(1R)-2-hydroxy-1-phenylethyl]amino]-1-phenylbutan-1-one
CID 11616992
3-Benzylamino-2-(2,2,3,3,4,4,4-heptafluoro-1-hydroxybutyl)cyclohex-2-en-1-one
CID 129768603
2-Butyl-4-hydroxy-3-[[3-(trifluoromethyl)phenyl]methylamino]cyclobut-2-en-1-one
CID 10495386
1-[3-[1,1,1-Trifluoro-2-[(2-hydroxy-1-phenylethyl)amino]but-3-en-2-yl]phenyl]propan-2-one
CID 58376979
N-[[2-fluoro-3-methyl-5-(trifluoromethyl)phenyl]methyl]-2-hydroxy-2-phenylacetamide
CID 143156002
2-Butyl-3-[(4-fluorophenyl)methylamino]-4-hydroxycyclobut-2-en-1-one
CID 10730259
2,2-difluoro-3-[[(1R)-2-hydroxy-1-phenylethyl]amino]-4-methyl-1-phenylpentan-1-one
CID 11674642
(3S)-4,4,4-trifluoro-3-[[(1R)-2-hydroxy-1-phenylethyl]amino]-1-phenylbutan-1-one
CID 12164112
N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 72138972
N-[(2R)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 95760904
N-[(2S)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 95760905
2,2-difluoro-3-[[(1S)-2-hydroxy-1-phenylethyl]amino]-4-methyl-1-phenylpentan-1-one
CID 101378312

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-phenyl-3-[[3-(trifluoromethyl)phenyl]methylamino]cyclobut-2-en-1-one?
The IUPAC name of 4-hydroxy-2-phenyl-3-[[3-(trifluoromethyl)phenyl]methylamino]cyclobut-2-en-1-one (CID 10640378) is 4-hydroxy-2-phenyl-3-[[3-(trifluoromethyl)phenyl]methylamino]cyclobut-2-en-1-one.
What is the SMILES notation for 4-hydroxy-2-phenyl-3-[[3-(trifluoromethyl)phenyl]methylamino]cyclobut-2-en-1-one?
The canonical SMILES for 4-hydroxy-2-phenyl-3-[[3-(trifluoromethyl)phenyl]methylamino]cyclobut-2-en-1-one is O=C1C(c2ccccc2)=C(NCc2cccc(C(F)(F)F)c2)C1O.
What is the InChIKey of 4-hydroxy-2-phenyl-3-[[3-(trifluoromethyl)phenyl]methylamino]cyclobut-2-en-1-one?
The InChIKey is MBPWBTUUOTZDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3NO2/c19-18(20,21)13-8-4-5-11(9-13)10-22-15-14(16(23)17(15)24)12-6-2-1-3-7-12/h1-9,17,22,24H,10H2.
What are the key properties of 4-hydroxy-2-phenyl-3-[[3-(trifluoromethyl)phenyl]methylamino]cyclobut-2-en-1-one?
4-hydroxy-2-phenyl-3-[[3-(trifluoromethyl)phenyl]methylamino]cyclobut-2-en-1-one has a molecular weight of 333.31 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-phenyl-3-[[3-(trifluoromethyl)phenyl]methylamino]cyclobut-2-en-1-one is sourced from PubChem (CID 10640378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).