1-[4-(methylamino)oxolan-3-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone

C14H16F3NO3 — CID 116561283

IUPAC1-[4-(methylamino)oxolan-3-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone
SMILESCNC1COCC1C(=O)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H16F3NO3/c1-18-12-8-20-7-11(12)13(19)6-9-2-4-10(5-3-9)21-14(15,16)17/h2-5,11-12,18H,6-8H2,1H3
InChIKeyFQTXYTYDRIEVAX-UHFFFAOYSA-N
MW303.28 g/mol
LogP1.93
Rot. Bonds5

About 1-[4-(methylamino)oxolan-3-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone

1-[4-(methylamino)oxolan-3-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone (PubChem CID 116561283) has the molecular formula C14H16F3NO3 and a molecular weight of 303.28 g/mol. Its IUPAC name is 1-[4-(methylamino)oxolan-3-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(methylamino)oxolan-3-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone
PubChem CID116561283
Molecular FormulaC14H16F3NO3
Molecular Weight303.28 g/mol
Exact Mass303.11
IUPAC Name1-[4-(methylamino)oxolan-3-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone
SMILESCNC1COCC1C(=O)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H16F3NO3/c1-18-12-8-20-7-11(12)13(19)6-9-2-4-10(5-3-9)21-14(15,16)17/h2-5,11-12,18H,6-8H2,1H3
InChIKeyFQTXYTYDRIEVAX-UHFFFAOYSA-N
XLogP1.93
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(oxolan-3-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 65330397
1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 171942839
1-cyclopropyl-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 62620228
1-(oxan-4-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 65329809
1-methyl-3-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]urea
CID 47384187
1-(7-bicyclo[4.1.0]heptanyl)-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 114968084
3-methyl-1-[4-(trifluoromethoxy)phenyl]butan-2-one
CID 59159515
1-(1,3-dioxolan-2-yl)-3-[4-(trifluoromethoxy)phenyl]propan-2-one
CID 103543650
2-[4-(trifluoromethoxy)phenyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 112829044
3-hydroxy-3-methyl-1-[4-(trifluoromethoxy)phenyl]butan-2-one
CID 103446073
(4-chlorophenyl)methyl 4-(methylamino)oxolane-3-carboxylate
CID 66267073
1-(1,1-dioxothiolan-3-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 115336214

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methylamino)oxolan-3-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone?
The IUPAC name of 1-[4-(methylamino)oxolan-3-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone (CID 116561283) is 1-[4-(methylamino)oxolan-3-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone.
What is the SMILES notation for 1-[4-(methylamino)oxolan-3-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone?
The canonical SMILES for 1-[4-(methylamino)oxolan-3-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone is CNC1COCC1C(=O)Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 1-[4-(methylamino)oxolan-3-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone?
The InChIKey is FQTXYTYDRIEVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO3/c1-18-12-8-20-7-11(12)13(19)6-9-2-4-10(5-3-9)21-14(15,16)17/h2-5,11-12,18H,6-8H2,1H3.
What are the key properties of 1-[4-(methylamino)oxolan-3-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone?
1-[4-(methylamino)oxolan-3-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone has a molecular weight of 303.28 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methylamino)oxolan-3-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone is sourced from PubChem (CID 116561283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).