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

C25H19FN2O2 — CID 169469561

IUPAC9H-fluoren-9-ylmethyl N-[3-(3-cyano-5-fluorophenyl)prop-2-enyl]carbamate
SMILESN#Cc1cc(F)cc(C=CCNC(=O)OCC2c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C25H19FN2O2/c26-19-13-17(12-18(14-19)15-27)6-5-11-28-25(29)30-16-24-22-9-3-1-7-20(22)21-8-2-4-10-23(21)24/h1-10,12-14,24H,11,16H2,(H,28,29)
InChIKeyQFQSYRMKULHFCJ-UHFFFAOYSA-N
MW398.44 g/mol
LogP5.25
Rot. Bonds5

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

9H-fluoren-9-ylmethyl N-[3-(3-cyano-5-fluorophenyl)prop-2-enyl]carbamate (PubChem CID 169469561) has the molecular formula C25H19FN2O2 and a molecular weight of 398.44 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-(3-cyano-5-fluorophenyl)prop-2-enyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3-(3-cyano-5-fluorophenyl)prop-2-enyl]carbamate
PubChem CID169469561
Molecular FormulaC25H19FN2O2
Molecular Weight398.44 g/mol
Exact Mass398.14
IUPAC Name9H-fluoren-9-ylmethyl N-[3-(3-cyano-5-fluorophenyl)prop-2-enyl]carbamate
SMILESN#Cc1cc(F)cc(C=CCNC(=O)OCC2c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C25H19FN2O2/c26-19-13-17(12-18(14-19)15-27)6-5-11-28-25(29)30-16-24-22-9-3-1-7-20(22)21-8-2-4-10-23(21)24/h1-10,12-14,24H,11,16H2,(H,28,29)
InChIKeyQFQSYRMKULHFCJ-UHFFFAOYSA-N
XLogP5.25
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.44
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9H-fluoren-9-ylmethyl N-[3-(4-amino-3,5-difluorophenyl)prop-2-enyl]carbamate
CID 169469613
9H-fluoren-9-ylmethyl N-[3-(4-cyano-3-fluorophenyl)prop-2-enyl]carbamate
CID 169469560
9H-fluoren-9-ylmethyl N-[3-(2-cyano-4,5-difluorophenyl)prop-2-enyl]carbamate
CID 169469951
9H-fluoren-9-ylmethyl N-[3-(2-cyano-4-fluorophenyl)prop-2-enyl]carbamate
CID 169469568
9H-fluoren-9-ylmethyl N-[3-(3-fluoro-4-hydroxyphenyl)prop-2-enyl]carbamate
CID 169469128
9H-fluoren-9-ylmethyl N-[3-[3,5-bis(trifluoromethyl)phenyl]prop-2-enyl]carbamate
CID 169470525
9H-fluoren-9-ylmethyl N-[3-(2,3-diamino-5-fluorophenyl)prop-2-enyl]carbamate
CID 169469496
9H-fluoren-9-ylmethyl N-[3-(3-fluoro-4-hydrazinylphenyl)prop-2-enyl]carbamate
CID 169469493
9H-fluoren-9-ylmethyl N-[4-(3-cyanophenyl)but-3-enyl]carbamate
CID 170491949
9H-fluoren-9-ylmethyl N-[4-(3-cyano-5-fluorophenyl)but-3-ynyl]carbamate
CID 170460758
9H-fluoren-9-ylmethyl N-[3-[4-(chloromethyl)-3-fluorophenyl]prop-2-enyl]carbamate
CID 169469379
9H-fluoren-9-ylmethyl N-[3-(3-amino-5-fluoro-2-methylphenyl)prop-2-enyl]carbamate
CID 169469567

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(3-cyano-5-fluorophenyl)prop-2-enyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(3-cyano-5-fluorophenyl)prop-2-enyl]carbamate (CID 169469561) is 9H-fluoren-9-ylmethyl N-[3-(3-cyano-5-fluorophenyl)prop-2-enyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-(3-cyano-5-fluorophenyl)prop-2-enyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-(3-cyano-5-fluorophenyl)prop-2-enyl]carbamate is N#Cc1cc(F)cc(C=CCNC(=O)OCC2c3ccccc3-c3ccccc32)c1.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-(3-cyano-5-fluorophenyl)prop-2-enyl]carbamate?
The InChIKey is QFQSYRMKULHFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN2O2/c26-19-13-17(12-18(14-19)15-27)6-5-11-28-25(29)30-16-24-22-9-3-1-7-20(22)21-8-2-4-10-23(21)24/h1-10,12-14,24H,11,16H2,(H,28,29).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3-(3-cyano-5-fluorophenyl)prop-2-enyl]carbamate?
9H-fluoren-9-ylmethyl N-[3-(3-cyano-5-fluorophenyl)prop-2-enyl]carbamate has a molecular weight of 398.44 g/mol, XLogP of 5.25, 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-(3-cyano-5-fluorophenyl)prop-2-enyl]carbamate is sourced from PubChem (CID 169469561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).