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

C14H11F3O2 — CID 23074393

IUPAC1-[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]ethanone
SMILESCC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)oc1C
InChIInChI=1S/C14H11F3O2/c1-8(18)12-7-13(19-9(12)2)10-3-5-11(6-4-10)14(15,16)17/h3-7H,1-2H3
InChIKeySSPNJBYZWZNNLO-UHFFFAOYSA-N
MW268.23 g/mol
LogP4.48
Rot. Bonds2

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

1-[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]ethanone (PubChem CID 23074393) has the molecular formula C14H11F3O2 and a molecular weight of 268.23 g/mol. Its IUPAC name is 1-[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]ethanone.

Molecular Properties

Compound Name1-[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]ethanone
PubChem CID23074393
Molecular FormulaC14H11F3O2
Molecular Weight268.23 g/mol
Exact Mass268.07
IUPAC Name1-[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]ethanone
SMILESCC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)oc1C
InChIInChI=1S/C14H11F3O2/c1-8(18)12-7-13(19-9(12)2)10-3-5-11(6-4-10)14(15,16)17/h3-7H,1-2H3
InChIKeySSPNJBYZWZNNLO-UHFFFAOYSA-N
XLogP4.48
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(4-methylphenyl)-2-(trifluoromethyl)furan-3-yl]ethanone
CID 83607019
4-(4-acetyl-5-methylfuran-2-yl)benzonitrile
CID 163755510
2-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]furan-3-carboxylic acid
CID 2778104
1-(2-methyl-5-thiophen-3-ylfuran-3-yl)ethanone
CID 23129496
[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]methanamine
CID 121237669
2-methyl-5-(4-methylphenyl)furan-3-carboxylic acid
CID 2794742
1-[2-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]phenyl]ethanone
CID 175647118
methyl 2-(methoxymethyl)-5-[4-(trifluoromethyl)phenyl]furan-3-carboxylate
CID 68512214
2-methyl-N,5-bis(4-methylphenyl)furan-3-carboxamide
CID 16650715
2-[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]acetonitrile
CID 23074381
2-methyl-3-(4-methyl-1,3-dioxetan-2-yl)-5-[4-(trifluoromethyl)phenyl]furan
CID 70888488
5-(4-chlorophenyl)-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide
CID 155515471

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]ethanone?
The IUPAC name of 1-[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]ethanone (CID 23074393) is 1-[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]ethanone.
What is the SMILES notation for 1-[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]ethanone?
The canonical SMILES for 1-[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]ethanone is CC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)oc1C.
What is the InChIKey of 1-[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]ethanone?
The InChIKey is SSPNJBYZWZNNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3O2/c1-8(18)12-7-13(19-9(12)2)10-3-5-11(6-4-10)14(15,16)17/h3-7H,1-2H3.
What are the key properties of 1-[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]ethanone?
1-[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]ethanone has a molecular weight of 268.23 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]ethanone is sourced from PubChem (CID 23074393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).