2,2,2-trifluoro-N-(1-methyl-3,4,5,6-tetrahydrochrysen-3-yl)acetamide

C21H18F3NO — CID 174320988

IUPAC2,2,2-trifluoro-N-(1-methyl-3,4,5,6-tetrahydrochrysen-3-yl)acetamide
SMILESCC1=CC(NC(=O)C(F)(F)F)Cc2c1ccc1c2CCc2ccccc2-1
InChIInChI=1S/C21H18F3NO/c1-12-10-14(25-20(26)21(22,23)24)11-19-15(12)8-9-17-16-5-3-2-4-13(16)6-7-18(17)19/h2-5,8-10,14H,6-7,11H2,1H3,(H,25,26)
InChIKeyMAZRIXVSDDIKAV-UHFFFAOYSA-N
MW357.38 g/mol
LogP4.46
Rot. Bonds1

About 2,2,2-trifluoro-N-(1-methyl-3,4,5,6-tetrahydrochrysen-3-yl)acetamide

2,2,2-trifluoro-N-(1-methyl-3,4,5,6-tetrahydrochrysen-3-yl)acetamide (PubChem CID 174320988) has the molecular formula C21H18F3NO and a molecular weight of 357.38 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(1-methyl-3,4,5,6-tetrahydrochrysen-3-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(1-methyl-3,4,5,6-tetrahydrochrysen-3-yl)acetamide
PubChem CID174320988
Molecular FormulaC21H18F3NO
Molecular Weight357.38 g/mol
Exact Mass357.13
IUPAC Name2,2,2-trifluoro-N-(1-methyl-3,4,5,6-tetrahydrochrysen-3-yl)acetamide
SMILESCC1=CC(NC(=O)C(F)(F)F)Cc2c1ccc1c2CCc2ccccc2-1
InChIInChI=1S/C21H18F3NO/c1-12-10-14(25-20(26)21(22,23)24)11-19-15(12)8-9-17-16-5-3-2-4-13(16)6-7-18(17)19/h2-5,8-10,14H,6-7,11H2,1H3,(H,25,26)
InChIKeyMAZRIXVSDDIKAV-UHFFFAOYSA-N
XLogP4.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2,2-trifluoro-N-[(2S)-3-oxo-1,2-dihydroinden-2-yl]acetamide
CID 11425044
2,2,2-trifluoro-N-[(2R)-3-oxo-1,2-dihydroinden-2-yl]acetamide
CID 177402661
N,N-dimethylformamide;1,3-dimethyl-3,4,5,6-tetrahydrochrysene;1-methylpyrrolidin-2-one
CID 174889360
2,2,2-trifluoro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
CID 11665946
tert-butyl 3,4,5,6-tetrahydrochrysene-2-carboxylate
CID 175318145
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2,2,2-trifluoroacetamide
CID 14511478
2,2,2-trifluoro-N-[(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide
CID 11448303
4-methylbenzene-1,3-dicarboxylic acid;3,4,5,6-tetrahydrochrysene
CID 174251093
3,4,5,6-tetrahydro-2H-chrysen-1-one
CID 14148821
1,3-dimethyl-1,2,3,4,5,6-hexahydrochrysene
CID 174809255
2,2,2-trifluoro-N-[(1S)-4-oxo-2,3-dihydro-1H-naphthalen-1-yl]acetamide
CID 86686673
2,2,2-trifluoro-N-(1,2,3,4-tetrahydroquinolin-3-yl)acetamide
CID 130638230

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(1-methyl-3,4,5,6-tetrahydrochrysen-3-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(1-methyl-3,4,5,6-tetrahydrochrysen-3-yl)acetamide (CID 174320988) is 2,2,2-trifluoro-N-(1-methyl-3,4,5,6-tetrahydrochrysen-3-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(1-methyl-3,4,5,6-tetrahydrochrysen-3-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(1-methyl-3,4,5,6-tetrahydrochrysen-3-yl)acetamide is CC1=CC(NC(=O)C(F)(F)F)Cc2c1ccc1c2CCc2ccccc2-1.
What is the InChIKey of 2,2,2-trifluoro-N-(1-methyl-3,4,5,6-tetrahydrochrysen-3-yl)acetamide?
The InChIKey is MAZRIXVSDDIKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3NO/c1-12-10-14(25-20(26)21(22,23)24)11-19-15(12)8-9-17-16-5-3-2-4-13(16)6-7-18(17)19/h2-5,8-10,14H,6-7,11H2,1H3,(H,25,26).
What are the key properties of 2,2,2-trifluoro-N-(1-methyl-3,4,5,6-tetrahydrochrysen-3-yl)acetamide?
2,2,2-trifluoro-N-(1-methyl-3,4,5,6-tetrahydrochrysen-3-yl)acetamide has a molecular weight of 357.38 g/mol, XLogP of 4.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(1-methyl-3,4,5,6-tetrahydrochrysen-3-yl)acetamide is sourced from PubChem (CID 174320988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).