[4-(ethylamino)oxolan-3-yl]-[2-(trifluoromethoxy)phenyl]methanone

C14H16F3NO3 — CID 116587984

IUPAC[4-(ethylamino)oxolan-3-yl]-[2-(trifluoromethoxy)phenyl]methanone
SMILESCCNC1COCC1C(=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H16F3NO3/c1-2-18-11-8-20-7-10(11)13(19)9-5-3-4-6-12(9)21-14(15,16)17/h3-6,10-11,18H,2,7-8H2,1H3
InChIKeyNBIVXTGCBOEKOU-UHFFFAOYSA-N
MW303.28 g/mol
LogP2.39
Rot. Bonds5

About [4-(ethylamino)oxolan-3-yl]-[2-(trifluoromethoxy)phenyl]methanone

[4-(ethylamino)oxolan-3-yl]-[2-(trifluoromethoxy)phenyl]methanone (PubChem CID 116587984) has the molecular formula C14H16F3NO3 and a molecular weight of 303.28 g/mol. Its IUPAC name is [4-(ethylamino)oxolan-3-yl]-[2-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name[4-(ethylamino)oxolan-3-yl]-[2-(trifluoromethoxy)phenyl]methanone
PubChem CID116587984
Molecular FormulaC14H16F3NO3
Molecular Weight303.28 g/mol
Exact Mass303.11
IUPAC Name[4-(ethylamino)oxolan-3-yl]-[2-(trifluoromethoxy)phenyl]methanone
SMILESCCNC1COCC1C(=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H16F3NO3/c1-2-18-11-8-20-7-10(11)13(19)9-5-3-4-6-12(9)21-14(15,16)17/h3-6,10-11,18H,2,7-8H2,1H3
InChIKeyNBIVXTGCBOEKOU-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(ethylamino)oxolan-3-yl]-[2-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of [4-(ethylamino)oxolan-3-yl]-[2-(trifluoromethoxy)phenyl]methanone (CID 116587984) is [4-(ethylamino)oxolan-3-yl]-[2-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for [4-(ethylamino)oxolan-3-yl]-[2-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for [4-(ethylamino)oxolan-3-yl]-[2-(trifluoromethoxy)phenyl]methanone is CCNC1COCC1C(=O)c1ccccc1OC(F)(F)F.
What is the InChIKey of [4-(ethylamino)oxolan-3-yl]-[2-(trifluoromethoxy)phenyl]methanone?
The InChIKey is NBIVXTGCBOEKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO3/c1-2-18-11-8-20-7-10(11)13(19)9-5-3-4-6-12(9)21-14(15,16)17/h3-6,10-11,18H,2,7-8H2,1H3.
What are the key properties of [4-(ethylamino)oxolan-3-yl]-[2-(trifluoromethoxy)phenyl]methanone?
[4-(ethylamino)oxolan-3-yl]-[2-(trifluoromethoxy)phenyl]methanone has a molecular weight of 303.28 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethylamino)oxolan-3-yl]-[2-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 116587984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).