9H-fluoren-9-ylmethyl N-[3-[3-fluoro-2-(trifluoromethyl)phenyl]prop-2-enyl]carbamate

C25H19F4NO2 — CID 169470062

IUPAC9H-fluoren-9-ylmethyl N-[3-[3-fluoro-2-(trifluoromethyl)phenyl]prop-2-enyl]carbamate
SMILESO=C(NCC=Cc1cccc(F)c1C(F)(F)F)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H19F4NO2/c26-22-13-5-7-16(23(22)25(27,28)29)8-6-14-30-24(31)32-15-21-19-11-3-1-9-17(19)18-10-2-4-12-20(18)21/h1-13,21H,14-15H2,(H,30,31)
InChIKeyBVZVKCISLZJXON-UHFFFAOYSA-N
MW441.42 g/mol
LogP6.40
Rot. Bonds5

About 9H-fluoren-9-ylmethyl N-[3-[3-fluoro-2-(trifluoromethyl)phenyl]prop-2-enyl]carbamate

9H-fluoren-9-ylmethyl N-[3-[3-fluoro-2-(trifluoromethyl)phenyl]prop-2-enyl]carbamate (PubChem CID 169470062) has the molecular formula C25H19F4NO2 and a molecular weight of 441.42 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-[3-fluoro-2-(trifluoromethyl)phenyl]prop-2-enyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3-[3-fluoro-2-(trifluoromethyl)phenyl]prop-2-enyl]carbamate
PubChem CID169470062
Molecular FormulaC25H19F4NO2
Molecular Weight441.42 g/mol
Exact Mass441.14
IUPAC Name9H-fluoren-9-ylmethyl N-[3-[3-fluoro-2-(trifluoromethyl)phenyl]prop-2-enyl]carbamate
SMILESO=C(NCC=Cc1cccc(F)c1C(F)(F)F)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H19F4NO2/c26-22-13-5-7-16(23(22)25(27,28)29)8-6-14-30-24(31)32-15-21-19-11-3-1-9-17(19)18-10-2-4-12-20(18)21/h1-13,21H,14-15H2,(H,30,31)
InChIKeyBVZVKCISLZJXON-UHFFFAOYSA-N
XLogP6.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.42
LogP ≤ 56.40
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-sulfanylphenyl)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-bromo-2-fluorophenyl)prop-2-enyl]carbamate
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9H-fluoren-9-ylmethyl N-[3-(2-chloro-6-fluorophenyl)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-(2-fluoro-3-pyridinyl)prop-2-enyl]carbamate
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9H-fluoren-9-ylmethyl N-[3-(2-cyano-4,5-difluorophenyl)prop-2-enyl]carbamate
CID 169469951
9H-fluoren-9-ylmethyl N-[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]prop-2-enyl]carbamate
CID 169469492
9H-fluoren-9-ylmethyl N-[3-[3,5-bis(trifluoromethyl)phenyl]prop-2-enyl]carbamate
CID 169470525
9H-fluoren-9-ylmethyl N-[3-(2-chloro-5-fluoro-4-methylphenyl)prop-2-enyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-[3-fluoro-2-(trifluoromethyl)phenyl]prop-2-enyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-[3-fluoro-2-(trifluoromethyl)phenyl]prop-2-enyl]carbamate (CID 169470062) is 9H-fluoren-9-ylmethyl N-[3-[3-fluoro-2-(trifluoromethyl)phenyl]prop-2-enyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-[3-fluoro-2-(trifluoromethyl)phenyl]prop-2-enyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-[3-fluoro-2-(trifluoromethyl)phenyl]prop-2-enyl]carbamate is O=C(NCC=Cc1cccc(F)c1C(F)(F)F)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-[3-fluoro-2-(trifluoromethyl)phenyl]prop-2-enyl]carbamate?
The InChIKey is BVZVKCISLZJXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F4NO2/c26-22-13-5-7-16(23(22)25(27,28)29)8-6-14-30-24(31)32-15-21-19-11-3-1-9-17(19)18-10-2-4-12-20(18)21/h1-13,21H,14-15H2,(H,30,31).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3-[3-fluoro-2-(trifluoromethyl)phenyl]prop-2-enyl]carbamate?
9H-fluoren-9-ylmethyl N-[3-[3-fluoro-2-(trifluoromethyl)phenyl]prop-2-enyl]carbamate has a molecular weight of 441.42 g/mol, XLogP of 6.40, 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-fluoro-2-(trifluoromethyl)phenyl]prop-2-enyl]carbamate is sourced from PubChem (CID 169470062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).