9H-fluoren-9-ylmethyl N-[3-(2-cyano-4,5-difluorophenyl)prop-2-enyl]carbamate

C25H18F2N2O2 — CID 169469951

About 9H-fluoren-9-ylmethyl N-[3-(2-cyano-4,5-difluorophenyl)prop-2-enyl]carbamate

9H-fluoren-9-ylmethyl N-[3-(2-cyano-4,5-difluorophenyl)prop-2-enyl]carbamate (PubChem CID 169469951) has the molecular formula C25H18F2N2O2 and a molecular weight of 416.43 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-(2-cyano-4,5-difluorophenyl)prop-2-enyl]carbamate.

Molecular Properties

• Compound Name: 9H-fluoren-9-ylmethyl N-[3-(2-cyano-4,5-difluorophenyl)prop-2-enyl]carbamate
• PubChem CID: 169469951
• Molecular Formula: C25H18F2N2O2
• Molecular Weight: 416.43 g/mol
• Exact Mass: 416.13
• IUPAC Name: 9H-fluoren-9-ylmethyl N-[3-(2-cyano-4,5-difluorophenyl)prop-2-enyl]carbamate
• SMILES: N#Cc1cc(F)c(F)cc1C=CCNC(=O)OCC1c2ccccc2-c2ccccc21
• InChI: InChI=1S/C25H18F2N2O2/c26-23-12-16(17(14-28)13-24(23)27)6-5-11-29-25(30)31-15-22-20-9-3-1-7-18(20)19-8-2-4-10-21(19)22/h1-10,12-13,22H,11,15H2,(H,29,30)
• InChIKey: MHLYLRKXJPSMRU-UHFFFAOYSA-N
• XLogP: 5.39
• TPSA: 62.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	416.43
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(2-cyano-4,5-difluorophenyl)prop-2-enyl]carbamate?

The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(2-cyano-4,5-difluorophenyl)prop-2-enyl]carbamate (CID 169469951) is 9H-fluoren-9-ylmethyl N-[3-(2-cyano-4,5-difluorophenyl)prop-2-enyl]carbamate.

What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-(2-cyano-4,5-difluorophenyl)prop-2-enyl]carbamate?

The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-(2-cyano-4,5-difluorophenyl)prop-2-enyl]carbamate is N#Cc1cc(F)c(F)cc1C=CCNC(=O)OCC1c2ccccc2-c2ccccc21.

What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-(2-cyano-4,5-difluorophenyl)prop-2-enyl]carbamate?

The InChIKey is MHLYLRKXJPSMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F2N2O2/c26-23-12-16(17(14-28)13-24(23)27)6-5-11-29-25(30)31-15-22-20-9-3-1-7-18(20)19-8-2-4-10-21(19)22/h1-10,12-13,22H,11,15H2,(H,29,30).

What are the key properties of 9H-fluoren-9-ylmethyl N-[3-(2-cyano-4,5-difluorophenyl)prop-2-enyl]carbamate?

9H-fluoren-9-ylmethyl N-[3-(2-cyano-4,5-difluorophenyl)prop-2-enyl]carbamate has a molecular weight of 416.43 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9H-fluoren-9-ylmethyl N-[3-(2-cyano-4,5-difluorophenyl)prop-2-enyl]carbamate is sourced from PubChem (CID 169469951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).