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

C14H10F3NO — CID 141405542

IUPACN-[1-(trifluoromethyl)cyclopropyl]tricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide
SMILESO=C(NC1(C(F)(F)F)CC1)C1=CC=C2C1=CC1=C2C1
InChIInChI=1S/C14H10F3NO/c15-14(16,17)13(3-4-13)18-12(19)9-2-1-8-10-5-7(10)6-11(8)9/h1-2,6H,3-5H2,(H,18,19)
InChIKeyGXYPLRVHBJCTFR-UHFFFAOYSA-N
MW265.23 g/mol
LogP2.70
Rot. Bonds2

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

N-[1-(trifluoromethyl)cyclopropyl]tricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide (PubChem CID 141405542) has the molecular formula C14H10F3NO and a molecular weight of 265.23 g/mol. Its IUPAC name is N-[1-(trifluoromethyl)cyclopropyl]tricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide.

Molecular Properties

Compound NameN-[1-(trifluoromethyl)cyclopropyl]tricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide
PubChem CID141405542
Molecular FormulaC14H10F3NO
Molecular Weight265.23 g/mol
Exact Mass265.07
IUPAC NameN-[1-(trifluoromethyl)cyclopropyl]tricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide
SMILESO=C(NC1(C(F)(F)F)CC1)C1=CC=C2C1=CC1=C2C1
InChIInChI=1S/C14H10F3NO/c15-14(16,17)13(3-4-13)18-12(19)9-2-1-8-10-5-7(10)6-11(8)9/h1-2,6H,3-5H2,(H,18,19)
InChIKeyGXYPLRVHBJCTFR-UHFFFAOYSA-N
XLogP2.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[1-(trifluoromethyl)cyclopropyl]tricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide?
The IUPAC name of N-[1-(trifluoromethyl)cyclopropyl]tricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide (CID 141405542) is N-[1-(trifluoromethyl)cyclopropyl]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)cyclopropyl]tricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide?
The canonical SMILES for N-[1-(trifluoromethyl)cyclopropyl]tricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide is O=C(NC1(C(F)(F)F)CC1)C1=CC=C2C1=CC1=C2C1.
What is the InChIKey of N-[1-(trifluoromethyl)cyclopropyl]tricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide?
The InChIKey is GXYPLRVHBJCTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO/c15-14(16,17)13(3-4-13)18-12(19)9-2-1-8-10-5-7(10)6-11(8)9/h1-2,6H,3-5H2,(H,18,19).
What are the key properties of N-[1-(trifluoromethyl)cyclopropyl]tricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide?
N-[1-(trifluoromethyl)cyclopropyl]tricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide has a molecular weight of 265.23 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(trifluoromethyl)cyclopropyl]tricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide is sourced from PubChem (CID 141405542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).