N-[(14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-yl)methyl]-2,2,2-trifluoroacetamide

C14H17F5N4O — CID 155344087

IUPACN-[(14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-yl)methyl]-2,2,2-trifluoroacetamide
SMILESO=C(NCC1CCC(F)(F)c2c3c(nn2C1)CCNC3)C(F)(F)F
InChIInChI=1S/C14H17F5N4O/c15-13(16)3-1-8(5-21-12(24)14(17,18)19)7-23-11(13)9-6-20-4-2-10(9)22-23/h8,20H,1-7H2,(H,21,24)
InChIKeyQUWVKPWTKATCGX-UHFFFAOYSA-N
MW352.31 g/mol
LogP1.71
Rot. Bonds2

About N-[(14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-yl)methyl]-2,2,2-trifluoroacetamide

N-[(14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-yl)methyl]-2,2,2-trifluoroacetamide (PubChem CID 155344087) has the molecular formula C14H17F5N4O and a molecular weight of 352.31 g/mol. Its IUPAC name is N-[(14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-yl)methyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-yl)methyl]-2,2,2-trifluoroacetamide
PubChem CID155344087
Molecular FormulaC14H17F5N4O
Molecular Weight352.31 g/mol
Exact Mass352.13
IUPAC NameN-[(14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-yl)methyl]-2,2,2-trifluoroacetamide
SMILESO=C(NCC1CCC(F)(F)c2c3c(nn2C1)CCNC3)C(F)(F)F
InChIInChI=1S/C14H17F5N4O/c15-13(16)3-1-8(5-21-12(24)14(17,18)19)7-23-11(13)9-6-20-4-2-10(9)22-23/h8,20H,1-7H2,(H,21,24)
InChIKeyQUWVKPWTKATCGX-UHFFFAOYSA-N
XLogP1.71
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.31
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-yl)methyl]-2,2,2-trifluoroacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-yl)methyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-yl)methyl]-2,2,2-trifluoroacetamide (CID 155344087) is N-[(14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-yl)methyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-yl)methyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-yl)methyl]-2,2,2-trifluoroacetamide is O=C(NCC1CCC(F)(F)c2c3c(nn2C1)CCNC3)C(F)(F)F.
What is the InChIKey of N-[(14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-yl)methyl]-2,2,2-trifluoroacetamide?
The InChIKey is QUWVKPWTKATCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F5N4O/c15-13(16)3-1-8(5-21-12(24)14(17,18)19)7-23-11(13)9-6-20-4-2-10(9)22-23/h8,20H,1-7H2,(H,21,24).
What are the key properties of N-[(14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-yl)methyl]-2,2,2-trifluoroacetamide?
N-[(14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-yl)methyl]-2,2,2-trifluoroacetamide has a molecular weight of 352.31 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-yl)methyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 155344087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).