3,3,3-trifluoro-1-(5-methylfuran-2-yl)-2-(trifluoromethyl)propan-1-one

C9H6F6O2 — CID 103309400

IUPAC3,3,3-trifluoro-1-(5-methylfuran-2-yl)-2-(trifluoromethyl)propan-1-one
SMILESCc1ccc(C(=O)C(C(F)(F)F)C(F)(F)F)o1
InChIInChI=1S/C9H6F6O2/c1-4-2-3-5(17-4)6(16)7(8(10,11)12)9(13,14)15/h2-3,7H,1H3
InChIKeyRWYNXKUZLJCQSO-UHFFFAOYSA-N
MW260.13 g/mol
LogP3.51
Rot. Bonds2

About 3,3,3-trifluoro-1-(5-methylfuran-2-yl)-2-(trifluoromethyl)propan-1-one

3,3,3-trifluoro-1-(5-methylfuran-2-yl)-2-(trifluoromethyl)propan-1-one (PubChem CID 103309400) has the molecular formula C9H6F6O2 and a molecular weight of 260.13 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(5-methylfuran-2-yl)-2-(trifluoromethyl)propan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(5-methylfuran-2-yl)-2-(trifluoromethyl)propan-1-one
PubChem CID103309400
Molecular FormulaC9H6F6O2
Molecular Weight260.13 g/mol
Exact Mass260.03
IUPAC Name3,3,3-trifluoro-1-(5-methylfuran-2-yl)-2-(trifluoromethyl)propan-1-one
SMILESCc1ccc(C(=O)C(C(F)(F)F)C(F)(F)F)o1
InChIInChI=1S/C9H6F6O2/c1-4-2-3-5(17-4)6(16)7(8(10,11)12)9(13,14)15/h2-3,7H,1H3
InChIKeyRWYNXKUZLJCQSO-UHFFFAOYSA-N
XLogP3.51
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dichloro-1-(5-methylfuran-2-yl)ethanone
CID 116827193
1-(5-methylfuran-2-yl)-2,2-diphenylethanone
CID 125472505
potassium 5-methylfuran-2-carboxylate
CID 90487955
3-methyl-2-(methylaminomethyl)-1-(5-methylfuran-2-yl)butan-1-one
CID 116923562
propan-2-yl 5-methylfuran-2-carboxylate
CID 60643123
N-(2,2-difluoro-3-hydroxypropyl)-5-methylfuran-2-carboxamide
CID 104857131
2-(5-methylfuran-2-carbonyl)pentanenitrile
CID 79404948
N-[1-(4-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide
CID 4878419
N-[(1S)-1-(4-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide
CID 2452836
3-amino-3-methyl-1-(5-methylfuran-2-yl)butan-1-one
CID 116915783
1,5-bis(5-methylfuran-2-yl)pentane-1,5-dione;ethane
CID 144689486
(Z)-4-hydroxy-3-(5-methylfuran-2-yl)pent-3-en-2-one
CID 10375022

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(5-methylfuran-2-yl)-2-(trifluoromethyl)propan-1-one?
The IUPAC name of 3,3,3-trifluoro-1-(5-methylfuran-2-yl)-2-(trifluoromethyl)propan-1-one (CID 103309400) is 3,3,3-trifluoro-1-(5-methylfuran-2-yl)-2-(trifluoromethyl)propan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-1-(5-methylfuran-2-yl)-2-(trifluoromethyl)propan-1-one?
The canonical SMILES for 3,3,3-trifluoro-1-(5-methylfuran-2-yl)-2-(trifluoromethyl)propan-1-one is Cc1ccc(C(=O)C(C(F)(F)F)C(F)(F)F)o1.
What is the InChIKey of 3,3,3-trifluoro-1-(5-methylfuran-2-yl)-2-(trifluoromethyl)propan-1-one?
The InChIKey is RWYNXKUZLJCQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F6O2/c1-4-2-3-5(17-4)6(16)7(8(10,11)12)9(13,14)15/h2-3,7H,1H3.
What are the key properties of 3,3,3-trifluoro-1-(5-methylfuran-2-yl)-2-(trifluoromethyl)propan-1-one?
3,3,3-trifluoro-1-(5-methylfuran-2-yl)-2-(trifluoromethyl)propan-1-one has a molecular weight of 260.13 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-(5-methylfuran-2-yl)-2-(trifluoromethyl)propan-1-one is sourced from PubChem (CID 103309400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).