2,2,2-trifluoro-1-(1-hydroxy-3H-benzo[f]chromen-2-yl)ethanone

C15H9F3O3 — CID 171108154

IUPAC2,2,2-trifluoro-1-(1-hydroxy-3H-benzo[f]chromen-2-yl)ethanone
SMILESO=C(C1=C(O)c2c(ccc3ccccc23)OC1)C(F)(F)F
InChIInChI=1S/C15H9F3O3/c16-15(17,18)14(20)10-7-21-11-6-5-8-3-1-2-4-9(8)12(11)13(10)19/h1-6,19H,7H2
InChIKeyXNFJBSSEEHFLPS-UHFFFAOYSA-N
MW294.23 g/mol
LogP3.63
Rot. Bonds1

About 2,2,2-trifluoro-1-(1-hydroxy-3H-benzo[f]chromen-2-yl)ethanone

2,2,2-trifluoro-1-(1-hydroxy-3H-benzo[f]chromen-2-yl)ethanone (PubChem CID 171108154) has the molecular formula C15H9F3O3 and a molecular weight of 294.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(1-hydroxy-3H-benzo[f]chromen-2-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(1-hydroxy-3H-benzo[f]chromen-2-yl)ethanone
PubChem CID171108154
Molecular FormulaC15H9F3O3
Molecular Weight294.23 g/mol
Exact Mass294.05
IUPAC Name2,2,2-trifluoro-1-(1-hydroxy-3H-benzo[f]chromen-2-yl)ethanone
SMILESO=C(C1=C(O)c2c(ccc3ccccc23)OC1)C(F)(F)F
InChIInChI=1S/C15H9F3O3/c16-15(17,18)14(20)10-7-21-11-6-5-8-3-1-2-4-9(8)12(11)13(10)19/h1-6,19H,7H2
InChIKeyXNFJBSSEEHFLPS-UHFFFAOYSA-N
XLogP3.63
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-1-(1-hydroxy-4-phenyl-3H-benzo[f]quinolin-2-yl)ethanone
CID 175841128
1-methyl-3H-benzo[f]chromene-2-carboxamide
CID 163777104
[(E)-benzo[e][1]benzofuran-1-ylideneamino] trifluoromethanesulfonate
CID 172959972
12,15,18,21,42,45,48,51-octaoxanonacyclo[50.8.0.02,11.03,8.022,31.025,30.032,41.033,38.055,60]hexaconta-1(52),2(11),3,5,7,9,22(31),23,25,27,29,32(41),33,35,37,39,53,55,57,59-icosaene
CID 101060260
(3R)-3-hydroxy-3-(trifluoromethyl)-2H-benzo[f]chromen-1-one
CID 830125
[(Z)-benzo[e][1]benzofuran-1-ylideneamino] 2-methylbenzoate
CID 58276074
12,18,21,24,30-pentaoxa-15,27-diazapentacyclo[29.8.0.02,11.03,8.034,39]nonatriaconta-1(31),2(11),3,5,7,9,32,34,36,38-decaene-14,28-dione
CID 132537273
2,2,2-trifluoro-1-[1-[2-[N-[(1R)-1-phenylethyl]-C-(trifluoromethyl)carbonimidoyl]naphthalen-1-yl]naphthalen-2-yl]ethanone
CID 102441221
14,14-dimethyl-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaene
CID 59790961
12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaen-14-amine
CID 139362841
2,2,2-trifluoro-1-(3-hydroxy-4-phenylbenzo[h]quinolin-2-yl)ethanone
CID 175841112
2,2,2-trifluoro-1-(1-pyrrolidin-1-ylnaphthalen-2-yl)ethanone
CID 177471607

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(1-hydroxy-3H-benzo[f]chromen-2-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(1-hydroxy-3H-benzo[f]chromen-2-yl)ethanone (CID 171108154) is 2,2,2-trifluoro-1-(1-hydroxy-3H-benzo[f]chromen-2-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(1-hydroxy-3H-benzo[f]chromen-2-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(1-hydroxy-3H-benzo[f]chromen-2-yl)ethanone is O=C(C1=C(O)c2c(ccc3ccccc23)OC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(1-hydroxy-3H-benzo[f]chromen-2-yl)ethanone?
The InChIKey is XNFJBSSEEHFLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3O3/c16-15(17,18)14(20)10-7-21-11-6-5-8-3-1-2-4-9(8)12(11)13(10)19/h1-6,19H,7H2.
What are the key properties of 2,2,2-trifluoro-1-(1-hydroxy-3H-benzo[f]chromen-2-yl)ethanone?
2,2,2-trifluoro-1-(1-hydroxy-3H-benzo[f]chromen-2-yl)ethanone has a molecular weight of 294.23 g/mol, XLogP of 3.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(1-hydroxy-3H-benzo[f]chromen-2-yl)ethanone is sourced from PubChem (CID 171108154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).