N-[3-(trifluoromethyl)oxetan-3-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide

C14H10F3NO2 — CID 141405545

IUPACN-[3-(trifluoromethyl)oxetan-3-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESO=C(NC1(C(F)(F)F)COC1)C1=C2C=C3CC3=C2C=C1
InChIInChI=1S/C14H10F3NO2/c15-14(16,17)13(5-20-6-13)18-12(19)9-2-1-8-10-3-7(10)4-11(8)9/h1-2,4H,3,5-6H2,(H,18,19)
InChIKeyNWKUMZUXTBZDKQ-UHFFFAOYSA-N
MW281.23 g/mol
LogP1.94
Rot. Bonds2

About N-[3-(trifluoromethyl)oxetan-3-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide

N-[3-(trifluoromethyl)oxetan-3-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (PubChem CID 141405545) has the molecular formula C14H10F3NO2 and a molecular weight of 281.23 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)oxetan-3-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)oxetan-3-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
PubChem CID141405545
Molecular FormulaC14H10F3NO2
Molecular Weight281.23 g/mol
Exact Mass281.07
IUPAC NameN-[3-(trifluoromethyl)oxetan-3-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESO=C(NC1(C(F)(F)F)COC1)C1=C2C=C3CC3=C2C=C1
InChIInChI=1S/C14H10F3NO2/c15-14(16,17)13(5-20-6-13)18-12(19)9-2-1-8-10-3-7(10)4-11(8)9/h1-2,4H,3,5-6H2,(H,18,19)
InChIKeyNWKUMZUXTBZDKQ-UHFFFAOYSA-N
XLogP1.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.23
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(trifluoromethyl)cyclopropyl]pentalene-1-carboxamide
CID 141292979
N-[1-fluoro-2-(fluoromethyl)-3-hydroxypropan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
CID 141293201
N-[3-(trifluoromethyl)oxetan-3-yl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
CID 141349636
N-[3-(trifluoromethyl)oxetan-3-yl]pentalene-1-carboxamide
CID 162056300
N-[3-(trifluoromethyl)oxetan-3-yl]cyclopenta-1,3-diene-1-carboxamide
CID 161163447
N-(3-methyloxetan-3-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
CID 160221918
N-(3-methyloxetan-3-yl)pentalene-1-carboxamide
CID 160370291

Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)oxetan-3-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The IUPAC name of N-[3-(trifluoromethyl)oxetan-3-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (CID 141405545) is N-[3-(trifluoromethyl)oxetan-3-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide.
What is the SMILES notation for N-[3-(trifluoromethyl)oxetan-3-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The canonical SMILES for N-[3-(trifluoromethyl)oxetan-3-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is O=C(NC1(C(F)(F)F)COC1)C1=C2C=C3CC3=C2C=C1.
What is the InChIKey of N-[3-(trifluoromethyl)oxetan-3-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The InChIKey is NWKUMZUXTBZDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO2/c15-14(16,17)13(5-20-6-13)18-12(19)9-2-1-8-10-3-7(10)4-11(8)9/h1-2,4H,3,5-6H2,(H,18,19).
What are the key properties of N-[3-(trifluoromethyl)oxetan-3-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
N-[3-(trifluoromethyl)oxetan-3-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide has a molecular weight of 281.23 g/mol, XLogP of 1.94, 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]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is sourced from PubChem (CID 141405545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).