1-[2,2-dimethyl-7-(trifluoromethyl)chromen-4-yl]pyrrolidin-2-one

C16H16F3NO2 — CID 14755385

IUPAC1-[2,2-dimethyl-7-(trifluoromethyl)chromen-4-yl]pyrrolidin-2-one
SMILESCC1(C)C=C(N2CCCC2=O)c2ccc(C(F)(F)F)cc2O1
InChIInChI=1S/C16H16F3NO2/c1-15(2)9-12(20-7-3-4-14(20)21)11-6-5-10(16(17,18)19)8-13(11)22-15/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyCPZVQGWZCVCICU-UHFFFAOYSA-N
MW311.30 g/mol
LogP3.84
Rot. Bonds1

About 1-[2,2-dimethyl-7-(trifluoromethyl)chromen-4-yl]pyrrolidin-2-one

1-[2,2-dimethyl-7-(trifluoromethyl)chromen-4-yl]pyrrolidin-2-one (PubChem CID 14755385) has the molecular formula C16H16F3NO2 and a molecular weight of 311.30 g/mol. Its IUPAC name is 1-[2,2-dimethyl-7-(trifluoromethyl)chromen-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2,2-dimethyl-7-(trifluoromethyl)chromen-4-yl]pyrrolidin-2-one
PubChem CID14755385
Molecular FormulaC16H16F3NO2
Molecular Weight311.30 g/mol
Exact Mass311.11
IUPAC Name1-[2,2-dimethyl-7-(trifluoromethyl)chromen-4-yl]pyrrolidin-2-one
SMILESCC1(C)C=C(N2CCCC2=O)c2ccc(C(F)(F)F)cc2O1
InChIInChI=1S/C16H16F3NO2/c1-15(2)9-12(20-7-3-4-14(20)21)11-6-5-10(16(17,18)19)8-13(11)22-15/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyCPZVQGWZCVCICU-UHFFFAOYSA-N
XLogP3.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(3S)-3,4-Dihydro-7-trifluoromethyl-3beta-hydroxy-2,2-dimethyl-2H-1-benzopyran]-4alpha-yl]pyrrolidin-2-one
CID 14755384
2,2-Dimethyl-4-(2-oxopyrrolidin-1-yl)-2H-1-benzopyran-6-carbonitrile
CID 13704355
1-[2,2-Dimethyl-6-(trifluoromethyl)chromen-4-yl]piperidin-2-one
CID 44333709
1-(7-Trifluoromethyl-2,2-dimethyl-2H-1-benzopyran-4-yl)piperidin-2-one
CID 14755386
2(1H)-Pyridinone, 1-(2,2-dimethyl-2H-1-benzopyran-4-yl)-
CID 10538818
6-pentafluoroethyl-2,2-bisfluoromethyl-4-(2-oxo-1-pyrrolidinyl)-2H-1-benzopyran
CID 10046336
2,2-Bis(fluoromethyl)-4-(2-oxopyrrolidin-1-yl)chromene-6-carbonitrile
CID 15841004
6-pentafluoroethyl-2,2-bisfluoromethyl-4-(2-oxo-1-piperidinyl)-2H-1-benzopyran
CID 15841008
(3S,5S)-3-fluoro-5-(2-fluoro-6-methoxyphenyl)-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one
CID 69080293
1-(3-(Difluoromethoxy)benzyl)-5-(2-ethoxy-6-fluorophenyl)-3-methylpyrrolidin-2-one
CID 69081382
5-(2-Ethoxy-6-fluorophenyl)-1-(3-ethoxybenzyl)-3-methylpyrrolidin-2-one
CID 69084515
5-(2-Ethoxy-6-fluorophenyl)-3-methyl-1-(3-(trifluoromethoxy)benzyl)pyrrolidin-2-one
CID 69085153

Frequently Asked Questions

What is the IUPAC name of 1-[2,2-dimethyl-7-(trifluoromethyl)chromen-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[2,2-dimethyl-7-(trifluoromethyl)chromen-4-yl]pyrrolidin-2-one (CID 14755385) is 1-[2,2-dimethyl-7-(trifluoromethyl)chromen-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2,2-dimethyl-7-(trifluoromethyl)chromen-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[2,2-dimethyl-7-(trifluoromethyl)chromen-4-yl]pyrrolidin-2-one is CC1(C)C=C(N2CCCC2=O)c2ccc(C(F)(F)F)cc2O1.
What is the InChIKey of 1-[2,2-dimethyl-7-(trifluoromethyl)chromen-4-yl]pyrrolidin-2-one?
The InChIKey is CPZVQGWZCVCICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO2/c1-15(2)9-12(20-7-3-4-14(20)21)11-6-5-10(16(17,18)19)8-13(11)22-15/h5-6,8-9H,3-4,7H2,1-2H3.
What are the key properties of 1-[2,2-dimethyl-7-(trifluoromethyl)chromen-4-yl]pyrrolidin-2-one?
1-[2,2-dimethyl-7-(trifluoromethyl)chromen-4-yl]pyrrolidin-2-one has a molecular weight of 311.30 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-dimethyl-7-(trifluoromethyl)chromen-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 14755385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).