2-methyl-3-(4-methyl-1,3-dioxetan-2-yl)-5-[4-(trifluoromethyl)phenyl]furan

C15H13F3O3 — CID 70888488

IUPAC2-methyl-3-(4-methyl-1,3-dioxetan-2-yl)-5-[4-(trifluoromethyl)phenyl]furan
SMILESCc1oc(-c2ccc(C(F)(F)F)cc2)cc1C1OC(C)O1
InChIInChI=1S/C15H13F3O3/c1-8-12(14-20-9(2)21-14)7-13(19-8)10-3-5-11(6-4-10)15(16,17)18/h3-7,9,14H,1-2H3
InChIKeyWWLNIAMQYZNPDK-UHFFFAOYSA-N
MW298.26 g/mol
LogP4.67
Rot. Bonds2

About 2-methyl-3-(4-methyl-1,3-dioxetan-2-yl)-5-[4-(trifluoromethyl)phenyl]furan

2-methyl-3-(4-methyl-1,3-dioxetan-2-yl)-5-[4-(trifluoromethyl)phenyl]furan (PubChem CID 70888488) has the molecular formula C15H13F3O3 and a molecular weight of 298.26 g/mol. Its IUPAC name is 2-methyl-3-(4-methyl-1,3-dioxetan-2-yl)-5-[4-(trifluoromethyl)phenyl]furan.

Molecular Properties

Compound Name2-methyl-3-(4-methyl-1,3-dioxetan-2-yl)-5-[4-(trifluoromethyl)phenyl]furan
PubChem CID70888488
Molecular FormulaC15H13F3O3
Molecular Weight298.26 g/mol
Exact Mass298.08
IUPAC Name2-methyl-3-(4-methyl-1,3-dioxetan-2-yl)-5-[4-(trifluoromethyl)phenyl]furan
SMILESCc1oc(-c2ccc(C(F)(F)F)cc2)cc1C1OC(C)O1
InChIInChI=1S/C15H13F3O3/c1-8-12(14-20-9(2)21-14)7-13(19-8)10-3-5-11(6-4-10)15(16,17)18/h3-7,9,14H,1-2H3
InChIKeyWWLNIAMQYZNPDK-UHFFFAOYSA-N
XLogP4.67
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]methanamine
CID 121237669
1-[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]ethanone
CID 23074393
2-[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]acetonitrile
CID 23074381
4,9,14-tris[4-(trifluoromethyl)phenyl]-3,8,13-trioxatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene
CID 139258305
3-fluoro-5-(4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]furan
CID 102053804
2-[2,3,4,5,6-pentakis[5-[4-(trifluoromethyl)phenyl]furan-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]furan
CID 71615619
1-(4-methyl-1,3-dioxetan-2-yl)-N-[[2-(4-methyl-1,3-dioxetan-2-yl)-5-(trifluoromethyl)phenyl]methyl]methanamine
CID 71069513
1-methyl-4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]benzene
CID 59630308
2-[4-[3-[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]propoxy]phenyl]acetic acid
CID 23074326
3,6-dimethyl-4-[4-(trifluoromethyl)phenyl]pyran-2-one
CID 25189233
1-[(1R,2R)-2-methylcyclopropyl]-4-(trifluoromethyl)benzene
CID 11063442
2-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]furan
CID 132514370

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-methyl-1,3-dioxetan-2-yl)-5-[4-(trifluoromethyl)phenyl]furan?
The IUPAC name of 2-methyl-3-(4-methyl-1,3-dioxetan-2-yl)-5-[4-(trifluoromethyl)phenyl]furan (CID 70888488) is 2-methyl-3-(4-methyl-1,3-dioxetan-2-yl)-5-[4-(trifluoromethyl)phenyl]furan.
What is the SMILES notation for 2-methyl-3-(4-methyl-1,3-dioxetan-2-yl)-5-[4-(trifluoromethyl)phenyl]furan?
The canonical SMILES for 2-methyl-3-(4-methyl-1,3-dioxetan-2-yl)-5-[4-(trifluoromethyl)phenyl]furan is Cc1oc(-c2ccc(C(F)(F)F)cc2)cc1C1OC(C)O1.
What is the InChIKey of 2-methyl-3-(4-methyl-1,3-dioxetan-2-yl)-5-[4-(trifluoromethyl)phenyl]furan?
The InChIKey is WWLNIAMQYZNPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3O3/c1-8-12(14-20-9(2)21-14)7-13(19-8)10-3-5-11(6-4-10)15(16,17)18/h3-7,9,14H,1-2H3.
What are the key properties of 2-methyl-3-(4-methyl-1,3-dioxetan-2-yl)-5-[4-(trifluoromethyl)phenyl]furan?
2-methyl-3-(4-methyl-1,3-dioxetan-2-yl)-5-[4-(trifluoromethyl)phenyl]furan has a molecular weight of 298.26 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-methyl-1,3-dioxetan-2-yl)-5-[4-(trifluoromethyl)phenyl]furan is sourced from PubChem (CID 70888488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).