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

C25H19FN2O2 — CID 169469560

IUPAC9H-fluoren-9-ylmethyl N-[3-(4-cyano-3-fluorophenyl)prop-2-enyl]carbamate
SMILESN#Cc1ccc(C=CCNC(=O)OCC2c3ccccc3-c3ccccc32)cc1F
InChIInChI=1S/C25H19FN2O2/c26-24-14-17(11-12-18(24)15-27)6-5-13-28-25(29)30-16-23-21-9-3-1-7-19(21)20-8-2-4-10-22(20)23/h1-12,14,23H,13,16H2,(H,28,29)
InChIKeyBFCDOGOAXLZJBK-UHFFFAOYSA-N
MW398.44 g/mol
LogP5.25
Rot. Bonds5

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

9H-fluoren-9-ylmethyl N-[3-(4-cyano-3-fluorophenyl)prop-2-enyl]carbamate (PubChem CID 169469560) has the molecular formula C25H19FN2O2 and a molecular weight of 398.44 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-(4-cyano-3-fluorophenyl)prop-2-enyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3-(4-cyano-3-fluorophenyl)prop-2-enyl]carbamate
PubChem CID169469560
Molecular FormulaC25H19FN2O2
Molecular Weight398.44 g/mol
Exact Mass398.14
IUPAC Name9H-fluoren-9-ylmethyl N-[3-(4-cyano-3-fluorophenyl)prop-2-enyl]carbamate
SMILESN#Cc1ccc(C=CCNC(=O)OCC2c3ccccc3-c3ccccc32)cc1F
InChIInChI=1S/C25H19FN2O2/c26-24-14-17(11-12-18(24)15-27)6-5-13-28-25(29)30-16-23-21-9-3-1-7-19(21)20-8-2-4-10-22(20)23/h1-12,14,23H,13,16H2,(H,28,29)
InChIKeyBFCDOGOAXLZJBK-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-(2-cyano-4,5-difluorophenyl)prop-2-enyl]carbamate
CID 169469951
9H-fluoren-9-ylmethyl N-[3-(3-fluoro-4-hydroxyphenyl)prop-2-enyl]carbamate
CID 169469128
9H-fluoren-9-ylmethyl N-[3-(3-fluoro-4-hydrazinylphenyl)prop-2-enyl]carbamate
CID 169469493
9H-fluoren-9-ylmethyl N-[3-(3-fluoro-4-nitrophenyl)prop-2-enyl]carbamate
CID 169469969
9H-fluoren-9-ylmethyl N-[3-(4-amino-3,5-difluorophenyl)prop-2-enyl]carbamate
CID 169469613
9H-fluoren-9-ylmethyl N-[3-[4-(chloromethyl)-3-fluorophenyl]prop-2-enyl]carbamate
CID 169469379
9H-fluoren-9-ylmethyl N-[3-(3-cyano-5-fluorophenyl)prop-2-enyl]carbamate
CID 169469561
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-(trifluoromethoxy)phenyl]prop-2-enyl]carbamate
CID 169470410
9H-fluoren-9-ylmethyl N-[3-(3-amino-4-methylphenyl)prop-2-enyl]carbamate
CID 169469269
9H-fluoren-9-ylmethyl N-[3-(6-hydroxynaphthalen-2-yl)prop-2-enyl]carbamate
CID 169470273
4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-3,5-difluorobenzoic acid
CID 169470107

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(4-cyano-3-fluorophenyl)prop-2-enyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(4-cyano-3-fluorophenyl)prop-2-enyl]carbamate (CID 169469560) is 9H-fluoren-9-ylmethyl N-[3-(4-cyano-3-fluorophenyl)prop-2-enyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-(4-cyano-3-fluorophenyl)prop-2-enyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-(4-cyano-3-fluorophenyl)prop-2-enyl]carbamate is N#Cc1ccc(C=CCNC(=O)OCC2c3ccccc3-c3ccccc32)cc1F.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-(4-cyano-3-fluorophenyl)prop-2-enyl]carbamate?
The InChIKey is BFCDOGOAXLZJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN2O2/c26-24-14-17(11-12-18(24)15-27)6-5-13-28-25(29)30-16-23-21-9-3-1-7-19(21)20-8-2-4-10-22(20)23/h1-12,14,23H,13,16H2,(H,28,29).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3-(4-cyano-3-fluorophenyl)prop-2-enyl]carbamate?
9H-fluoren-9-ylmethyl N-[3-(4-cyano-3-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-(4-cyano-3-fluorophenyl)prop-2-enyl]carbamate is sourced from PubChem (CID 169469560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).