N-[1-(trifluoromethyl)cyclobutyl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide

C14H11F3N2O — CID 141405538

IUPACN-[1-(trifluoromethyl)cyclobutyl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESO=C(NC1(C(F)(F)F)CCC1)c1ccc2c3[nH]c-3cc1-2
InChIInChI=1S/C14H11F3N2O/c15-14(16,17)13(4-1-5-13)19-12(20)8-3-2-7-9(8)6-10-11(7)18-10/h2-3,6,18H,1,4-5H2,(H,19,20)
InChIKeyHOHHIISLAMGJGW-UHFFFAOYSA-N
MW280.25 g/mol
LogP3.31
Rot. Bonds2

About N-[1-(trifluoromethyl)cyclobutyl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide

N-[1-(trifluoromethyl)cyclobutyl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (PubChem CID 141405538) has the molecular formula C14H11F3N2O and a molecular weight of 280.25 g/mol. Its IUPAC name is N-[1-(trifluoromethyl)cyclobutyl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide.

Molecular Properties

Compound NameN-[1-(trifluoromethyl)cyclobutyl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
PubChem CID141405538
Molecular FormulaC14H11F3N2O
Molecular Weight280.25 g/mol
Exact Mass280.08
IUPAC NameN-[1-(trifluoromethyl)cyclobutyl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESO=C(NC1(C(F)(F)F)CCC1)c1ccc2c3[nH]c-3cc1-2
InChIInChI=1S/C14H11F3N2O/c15-14(16,17)13(4-1-5-13)19-12(20)8-3-2-7-9(8)6-10-11(7)18-10/h2-3,6,18H,1,4-5H2,(H,19,20)
InChIKeyHOHHIISLAMGJGW-UHFFFAOYSA-N
XLogP3.31
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2S)-1-fluoro-3,3-dimethylbutan-2-yl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
CID 141292827
5-chloro-2-hydrazinyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 106218313
2-bromo-5-iodo-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 106547554
6-oxo-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyridine-2-carboxamide
CID 106213890
3-[[1-(trifluoromethyl)cyclobutyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid
CID 166721277
4-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide
CID 106211259
3,6-dichloro-N-[1-(trifluoromethyl)cyclopropyl]pyridazine-4-carboxamide
CID 106211269
5-amino-2,4-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 106208292
6-fluoro-N-[4-(trifluoromethyl)oxan-4-yl]quinoline-8-carboxamide
CID 154756426
2-bromo-5-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 106219415
2-(3-hydroxyprop-1-ynyl)-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 106217814
3-amino-2-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 114158345

Frequently Asked Questions

What is the IUPAC name of N-[1-(trifluoromethyl)cyclobutyl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The IUPAC name of N-[1-(trifluoromethyl)cyclobutyl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (CID 141405538) is N-[1-(trifluoromethyl)cyclobutyl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide.
What is the SMILES notation for N-[1-(trifluoromethyl)cyclobutyl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The canonical SMILES for N-[1-(trifluoromethyl)cyclobutyl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is O=C(NC1(C(F)(F)F)CCC1)c1ccc2c3[nH]c-3cc1-2.
What is the InChIKey of N-[1-(trifluoromethyl)cyclobutyl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The InChIKey is HOHHIISLAMGJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O/c15-14(16,17)13(4-1-5-13)19-12(20)8-3-2-7-9(8)6-10-11(7)18-10/h2-3,6,18H,1,4-5H2,(H,19,20).
What are the key properties of N-[1-(trifluoromethyl)cyclobutyl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
N-[1-(trifluoromethyl)cyclobutyl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide has a molecular weight of 280.25 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(trifluoromethyl)cyclobutyl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is sourced from PubChem (CID 141405538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).