1-[[6-fluoro-2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-5,6-dimethylpyrimidine-2,4-dione

C14H14F4N2O2 — CID 145421571

IUPAC1-[[6-fluoro-2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-5,6-dimethylpyrimidine-2,4-dione
SMILESCc1c(C)n(CC2=C(C(F)(F)F)CCC=C2F)c(=O)[nH]c1=O
InChIInChI=1S/C14H14F4N2O2/c1-7-8(2)20(13(22)19-12(7)21)6-9-10(14(16,17)18)4-3-5-11(9)15/h5H,3-4,6H2,1-2H3,(H,19,21,22)
InChIKeySFGKYYOWFVKXQF-UHFFFAOYSA-N
MW318.27 g/mol
LogP2.66
Rot. Bonds2

About 1-[[6-fluoro-2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-5,6-dimethylpyrimidine-2,4-dione

1-[[6-fluoro-2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-5,6-dimethylpyrimidine-2,4-dione (PubChem CID 145421571) has the molecular formula C14H14F4N2O2 and a molecular weight of 318.27 g/mol. Its IUPAC name is 1-[[6-fluoro-2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-5,6-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[[6-fluoro-2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-5,6-dimethylpyrimidine-2,4-dione
PubChem CID145421571
Molecular FormulaC14H14F4N2O2
Molecular Weight318.27 g/mol
Exact Mass318.10
IUPAC Name1-[[6-fluoro-2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-5,6-dimethylpyrimidine-2,4-dione
SMILESCc1c(C)n(CC2=C(C(F)(F)F)CCC=C2F)c(=O)[nH]c1=O
InChIInChI=1S/C14H14F4N2O2/c1-7-8(2)20(13(22)19-12(7)21)6-9-10(14(16,17)18)4-3-5-11(9)15/h5H,3-4,6H2,1-2H3,(H,19,21,22)
InChIKeySFGKYYOWFVKXQF-UHFFFAOYSA-N
XLogP2.66
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.27
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[[6-fluoro-2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-5,6-dimethylpyrimidine-2,4-dione with MolForge

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Related Compounds

1,3-Dimethyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4,7(1H,3H,8H)-trione
CID 11184929
5-Ethyl-3-(2-fluoroethyl)-7-methylidene-1,8-dihydroquinazoline-2,4-dione
CID 89271716
5-Bromo-1-[[6-fluoro-2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-6-methylpyrimidine-2,4-dione
CID 145421567
Ethane;1-[[6-fluoro-2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-5,6-dimethylpyrimidine-2,4-dione
CID 145421570
1-[[6-Fluoro-2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-6-methylpyrimidine-2,4-dione
CID 145421573
1-[(E,2Z)-2-(1-fluoroethylidene)-3-(trifluoromethyl)hex-3-enyl]-6-methylpyrimidine-2,4-dione
CID 155729290
5-Bromo-1-[[2-fluoro-6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-6-methylpyrimidine-2,4-dione
CID 156801041
1-[[2-Fluoro-6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-6-methylpyrimidine-2,4-dione
CID 156801042
1,3,6-trimethyl-5-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]pyrimidine-2,4-dione
CID 10902121
3-ethyl-9,9-difluoro-5,8-dihydro-1H-cyclohepta[d]pyrimidine-2,4-dione
CID 11550487
6-(1,1-difluorobut-3-enyl)-3-ethyl-5-prop-2-enyl-1H-pyrimidine-2,4-dione
CID 11558085
1,3-Dimethyl-8-(trifluoromethyl)-1,5-dihydropyrido[3,2-d]pyrimidine-2,4,6(3H)-trione
CID 24213810

Frequently Asked Questions

What is the IUPAC name of 1-[[6-fluoro-2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-5,6-dimethylpyrimidine-2,4-dione?
The IUPAC name of 1-[[6-fluoro-2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-5,6-dimethylpyrimidine-2,4-dione (CID 145421571) is 1-[[6-fluoro-2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-5,6-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[[6-fluoro-2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-5,6-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 1-[[6-fluoro-2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-5,6-dimethylpyrimidine-2,4-dione is Cc1c(C)n(CC2=C(C(F)(F)F)CCC=C2F)c(=O)[nH]c1=O.
What is the InChIKey of 1-[[6-fluoro-2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-5,6-dimethylpyrimidine-2,4-dione?
The InChIKey is SFGKYYOWFVKXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F4N2O2/c1-7-8(2)20(13(22)19-12(7)21)6-9-10(14(16,17)18)4-3-5-11(9)15/h5H,3-4,6H2,1-2H3,(H,19,21,22).
What are the key properties of 1-[[6-fluoro-2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-5,6-dimethylpyrimidine-2,4-dione?
1-[[6-fluoro-2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-5,6-dimethylpyrimidine-2,4-dione has a molecular weight of 318.27 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-fluoro-2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-5,6-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 145421571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).