N-[3-(trifluoromethyl)oxetan-3-yl]cyclopenta-1,3-diene-1-carboxamide

C10H10F3NO2 — CID 161163447

IUPACN-[3-(trifluoromethyl)oxetan-3-yl]cyclopenta-1,3-diene-1-carboxamide
SMILESO=C(NC1(C(F)(F)F)COC1)C1=CC=CC1
InChIInChI=1S/C10H10F3NO2/c11-10(12,13)9(5-16-6-9)14-8(15)7-3-1-2-4-7/h1-3H,4-6H2,(H,14,15)
InChIKeyUQFKRJXOUINHKH-UHFFFAOYSA-N
MW233.19 g/mol
LogP1.32
Rot. Bonds2

About N-[3-(trifluoromethyl)oxetan-3-yl]cyclopenta-1,3-diene-1-carboxamide

N-[3-(trifluoromethyl)oxetan-3-yl]cyclopenta-1,3-diene-1-carboxamide (PubChem CID 161163447) has the molecular formula C10H10F3NO2 and a molecular weight of 233.19 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)oxetan-3-yl]cyclopenta-1,3-diene-1-carboxamide.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)oxetan-3-yl]cyclopenta-1,3-diene-1-carboxamide
PubChem CID161163447
Molecular FormulaC10H10F3NO2
Molecular Weight233.19 g/mol
Exact Mass233.07
IUPAC NameN-[3-(trifluoromethyl)oxetan-3-yl]cyclopenta-1,3-diene-1-carboxamide
SMILESO=C(NC1(C(F)(F)F)COC1)C1=CC=CC1
InChIInChI=1S/C10H10F3NO2/c11-10(12,13)9(5-16-6-9)14-8(15)7-3-1-2-4-7/h1-3H,4-6H2,(H,14,15)
InChIKeyUQFKRJXOUINHKH-UHFFFAOYSA-N
XLogP1.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)oxetan-3-yl]cyclopenta-1,3-diene-1-carboxamide?
The IUPAC name of N-[3-(trifluoromethyl)oxetan-3-yl]cyclopenta-1,3-diene-1-carboxamide (CID 161163447) is N-[3-(trifluoromethyl)oxetan-3-yl]cyclopenta-1,3-diene-1-carboxamide.
What is the SMILES notation for N-[3-(trifluoromethyl)oxetan-3-yl]cyclopenta-1,3-diene-1-carboxamide?
The canonical SMILES for N-[3-(trifluoromethyl)oxetan-3-yl]cyclopenta-1,3-diene-1-carboxamide is O=C(NC1(C(F)(F)F)COC1)C1=CC=CC1.
What is the InChIKey of N-[3-(trifluoromethyl)oxetan-3-yl]cyclopenta-1,3-diene-1-carboxamide?
The InChIKey is UQFKRJXOUINHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2/c11-10(12,13)9(5-16-6-9)14-8(15)7-3-1-2-4-7/h1-3H,4-6H2,(H,14,15).
What are the key properties of N-[3-(trifluoromethyl)oxetan-3-yl]cyclopenta-1,3-diene-1-carboxamide?
N-[3-(trifluoromethyl)oxetan-3-yl]cyclopenta-1,3-diene-1-carboxamide has a molecular weight of 233.19 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)oxetan-3-yl]cyclopenta-1,3-diene-1-carboxamide is sourced from PubChem (CID 161163447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).