N-[1-(trifluoromethyl)cyclobutyl]tricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide

C15H12F3NO — CID 141405543

IUPACN-[1-(trifluoromethyl)cyclobutyl]tricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide
SMILESO=C(NC1(C(F)(F)F)CCC1)C1=CC=C2C1=CC1=C2C1
InChIInChI=1S/C15H12F3NO/c16-15(17,18)14(4-1-5-14)19-13(20)10-3-2-9-11-6-8(11)7-12(9)10/h2-3,7H,1,4-6H2,(H,19,20)
InChIKeyXGZAWLZJWITWEX-UHFFFAOYSA-N
MW279.26 g/mol
LogP3.09
Rot. Bonds2

About N-[1-(trifluoromethyl)cyclobutyl]tricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide

N-[1-(trifluoromethyl)cyclobutyl]tricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide (PubChem CID 141405543) has the molecular formula C15H12F3NO and a molecular weight of 279.26 g/mol. Its IUPAC name is N-[1-(trifluoromethyl)cyclobutyl]tricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide.

Molecular Properties

Compound NameN-[1-(trifluoromethyl)cyclobutyl]tricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide
PubChem CID141405543
Molecular FormulaC15H12F3NO
Molecular Weight279.26 g/mol
Exact Mass279.09
IUPAC NameN-[1-(trifluoromethyl)cyclobutyl]tricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide
SMILESO=C(NC1(C(F)(F)F)CCC1)C1=CC=C2C1=CC1=C2C1
InChIInChI=1S/C15H12F3NO/c16-15(17,18)14(4-1-5-14)19-13(20)10-3-2-9-11-6-8(11)7-12(9)10/h2-3,7H,1,4-6H2,(H,19,20)
InChIKeyXGZAWLZJWITWEX-UHFFFAOYSA-N
XLogP3.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

CID 123580742
CID 123580742
CID 123866150
CID 123866150
CID 141293150
CID 141293150
CID 141405542
CID 141405542
CID 123433989
CID 123433989

Frequently Asked Questions

What is the IUPAC name of N-[1-(trifluoromethyl)cyclobutyl]tricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide?
The IUPAC name of N-[1-(trifluoromethyl)cyclobutyl]tricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide (CID 141405543) is N-[1-(trifluoromethyl)cyclobutyl]tricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide.
What is the SMILES notation for N-[1-(trifluoromethyl)cyclobutyl]tricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide?
The canonical SMILES for N-[1-(trifluoromethyl)cyclobutyl]tricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide is O=C(NC1(C(F)(F)F)CCC1)C1=CC=C2C1=CC1=C2C1.
What is the InChIKey of N-[1-(trifluoromethyl)cyclobutyl]tricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide?
The InChIKey is XGZAWLZJWITWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO/c16-15(17,18)14(4-1-5-14)19-13(20)10-3-2-9-11-6-8(11)7-12(9)10/h2-3,7H,1,4-6H2,(H,19,20).
What are the key properties of N-[1-(trifluoromethyl)cyclobutyl]tricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide?
N-[1-(trifluoromethyl)cyclobutyl]tricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide has a molecular weight of 279.26 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(trifluoromethyl)cyclobutyl]tricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide is sourced from PubChem (CID 141405543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).