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

C24H19BrFNO2 — CID 169470824

IUPAC9H-fluoren-9-ylmethyl N-[3-(3-bromo-2-fluorophenyl)prop-2-enyl]carbamate
SMILESO=C(NCC=Cc1cccc(Br)c1F)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H19BrFNO2/c25-22-13-5-7-16(23(22)26)8-6-14-27-24(28)29-15-21-19-11-3-1-9-17(19)18-10-2-4-12-20(18)21/h1-13,21H,14-15H2,(H,27,28)
InChIKeyFMLIGKMLOJLORH-UHFFFAOYSA-N
MW452.32 g/mol
LogP6.14
Rot. Bonds5

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

9H-fluoren-9-ylmethyl N-[3-(3-bromo-2-fluorophenyl)prop-2-enyl]carbamate (PubChem CID 169470824) has the molecular formula C24H19BrFNO2 and a molecular weight of 452.32 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-(3-bromo-2-fluorophenyl)prop-2-enyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3-(3-bromo-2-fluorophenyl)prop-2-enyl]carbamate
PubChem CID169470824
Molecular FormulaC24H19BrFNO2
Molecular Weight452.32 g/mol
Exact Mass451.06
IUPAC Name9H-fluoren-9-ylmethyl N-[3-(3-bromo-2-fluorophenyl)prop-2-enyl]carbamate
SMILESO=C(NCC=Cc1cccc(Br)c1F)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H19BrFNO2/c25-22-13-5-7-16(23(22)26)8-6-14-27-24(28)29-15-21-19-11-3-1-9-17(19)18-10-2-4-12-20(18)21/h1-13,21H,14-15H2,(H,27,28)
InChIKeyFMLIGKMLOJLORH-UHFFFAOYSA-N
XLogP6.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.32
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9H-fluoren-9-ylmethyl N-[3-(2-fluoro-3-hydroxyphenyl)prop-2-enyl]carbamate
CID 169469141
9H-fluoren-9-ylmethyl N-[3-(3-chloro-2-fluorophenyl)prop-2-enyl]carbamate
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9H-fluoren-9-ylmethyl N-[3-(2-aminophenyl)prop-2-enyl]carbamate
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9H-fluoren-9-ylmethyl N-[3-[3-fluoro-2-(trifluoromethyl)phenyl]prop-2-enyl]carbamate
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9H-fluoren-9-ylmethyl N-[3-(2-sulfanylphenyl)prop-2-enyl]carbamate
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9H-fluoren-9-ylmethyl N-[3-(2-fluoro-3-pyridinyl)prop-2-enyl]carbamate
CID 169469006
9H-fluoren-9-ylmethyl N-[3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enyl]carbamate
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9H-fluoren-9-ylmethyl N-[3-(5-bromo-2-hydroxyphenyl)prop-2-enyl]carbamate
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9H-fluoren-9-ylmethyl N-[3-(4-amino-2,5-difluorophenyl)prop-2-enyl]carbamate
CID 169469609
9H-fluoren-9-ylmethyl N-[3-(3,5-dibromo-4-pyridinyl)prop-2-enyl]carbamate
CID 169470944
9H-fluoren-9-ylmethyl N-[3-(2,3-diamino-5-fluorophenyl)prop-2-enyl]carbamate
CID 169469496
9H-fluoren-9-ylmethyl N-[3-(2-cyano-4,5-difluorophenyl)prop-2-enyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(3-bromo-2-fluorophenyl)prop-2-enyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(3-bromo-2-fluorophenyl)prop-2-enyl]carbamate (CID 169470824) is 9H-fluoren-9-ylmethyl N-[3-(3-bromo-2-fluorophenyl)prop-2-enyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-(3-bromo-2-fluorophenyl)prop-2-enyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-(3-bromo-2-fluorophenyl)prop-2-enyl]carbamate is O=C(NCC=Cc1cccc(Br)c1F)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-(3-bromo-2-fluorophenyl)prop-2-enyl]carbamate?
The InChIKey is FMLIGKMLOJLORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19BrFNO2/c25-22-13-5-7-16(23(22)26)8-6-14-27-24(28)29-15-21-19-11-3-1-9-17(19)18-10-2-4-12-20(18)21/h1-13,21H,14-15H2,(H,27,28).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3-(3-bromo-2-fluorophenyl)prop-2-enyl]carbamate?
9H-fluoren-9-ylmethyl N-[3-(3-bromo-2-fluorophenyl)prop-2-enyl]carbamate has a molecular weight of 452.32 g/mol, XLogP of 6.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[3-(3-bromo-2-fluorophenyl)prop-2-enyl]carbamate is sourced from PubChem (CID 169470824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).