1-[2-(furan-2-yl)-4,6-bis(trifluoromethyl)phenyl]ethanone

C14H8F6O2 — CID 168528391

IUPAC1-[2-(furan-2-yl)-4,6-bis(trifluoromethyl)phenyl]ethanone
SMILESCC(=O)c1c(-c2ccco2)cc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C14H8F6O2/c1-7(21)12-9(11-3-2-4-22-11)5-8(13(15,16)17)6-10(12)14(18,19)20/h2-6H,1H3
InChIKeyKYNPNJUWJJKBKV-UHFFFAOYSA-N
MW322.20 g/mol
LogP5.19
Rot. Bonds2

About 1-[2-(furan-2-yl)-4,6-bis(trifluoromethyl)phenyl]ethanone

1-[2-(furan-2-yl)-4,6-bis(trifluoromethyl)phenyl]ethanone (PubChem CID 168528391) has the molecular formula C14H8F6O2 and a molecular weight of 322.20 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)-4,6-bis(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-(furan-2-yl)-4,6-bis(trifluoromethyl)phenyl]ethanone
PubChem CID168528391
Molecular FormulaC14H8F6O2
Molecular Weight322.20 g/mol
Exact Mass322.04
IUPAC Name1-[2-(furan-2-yl)-4,6-bis(trifluoromethyl)phenyl]ethanone
SMILESCC(=O)c1c(-c2ccco2)cc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C14H8F6O2/c1-7(21)12-9(11-3-2-4-22-11)5-8(13(15,16)17)6-10(12)14(18,19)20/h2-6H,1H3
InChIKeyKYNPNJUWJJKBKV-UHFFFAOYSA-N
XLogP5.19
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.20
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-bromo-3-fluoro-5-(trifluoromethyl)phenyl]furan
CID 168526241
2-[2-nitro-5-(trifluoromethyl)phenyl]furan
CID 168526595
2-[2-fluoro-4-(trifluoromethyl)phenyl]furan
CID 168524503
3-(furan-2-yl)-5-(trifluoromethyl)benzamide
CID 168527470
2-[2-acetyl-3,5-bis(trifluoromethyl)phenyl]-1-(diaminomethylidene)guanidine
CID 168605555
1-[2-(furan-2-yl)-4-(trifluoromethyl)phenyl]-4-methylpiperazine
CID 168525964
2-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan
CID 90729865
1-[4-methoxy-2,6-bis(trifluoromethyl)phenyl]ethanone
CID 134640576
1-[2-(furan-2-yl)-4-(trifluoromethyl)phenyl]pyrrolidine
CID 168524729
2-[2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]furan
CID 168528176
4-(carboxymethyl)-3-(furan-2-yl)benzoic acid
CID 67569971
2-[5-fluoro-2-iodo-3-(trifluoromethyl)phenyl]furan
CID 168526828

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)-4,6-bis(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-[2-(furan-2-yl)-4,6-bis(trifluoromethyl)phenyl]ethanone (CID 168528391) is 1-[2-(furan-2-yl)-4,6-bis(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-[2-(furan-2-yl)-4,6-bis(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-[2-(furan-2-yl)-4,6-bis(trifluoromethyl)phenyl]ethanone is CC(=O)c1c(-c2ccco2)cc(C(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of 1-[2-(furan-2-yl)-4,6-bis(trifluoromethyl)phenyl]ethanone?
The InChIKey is KYNPNJUWJJKBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F6O2/c1-7(21)12-9(11-3-2-4-22-11)5-8(13(15,16)17)6-10(12)14(18,19)20/h2-6H,1H3.
What are the key properties of 1-[2-(furan-2-yl)-4,6-bis(trifluoromethyl)phenyl]ethanone?
1-[2-(furan-2-yl)-4,6-bis(trifluoromethyl)phenyl]ethanone has a molecular weight of 322.20 g/mol, XLogP of 5.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)-4,6-bis(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 168528391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).