9H-fluoren-9-ylmethyl N-[3-[3-fluoro-4-(trifluoromethoxy)phenyl]prop-2-enyl]carbamate

C25H19F4NO3 — CID 169470410

IUPAC9H-fluoren-9-ylmethyl N-[3-[3-fluoro-4-(trifluoromethoxy)phenyl]prop-2-enyl]carbamate
SMILESO=C(NCC=Cc1ccc(OC(F)(F)F)c(F)c1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H19F4NO3/c26-22-14-16(11-12-23(22)33-25(27,28)29)6-5-13-30-24(31)32-15-21-19-9-3-1-7-17(19)18-8-2-4-10-20(18)21/h1-12,14,21H,13,15H2,(H,30,31)
InChIKeyQEESGXYOCPHKBL-UHFFFAOYSA-N
MW457.42 g/mol
LogP6.28
Rot. Bonds6

About 9H-fluoren-9-ylmethyl N-[3-[3-fluoro-4-(trifluoromethoxy)phenyl]prop-2-enyl]carbamate

9H-fluoren-9-ylmethyl N-[3-[3-fluoro-4-(trifluoromethoxy)phenyl]prop-2-enyl]carbamate (PubChem CID 169470410) has the molecular formula C25H19F4NO3 and a molecular weight of 457.42 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-[3-fluoro-4-(trifluoromethoxy)phenyl]prop-2-enyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3-[3-fluoro-4-(trifluoromethoxy)phenyl]prop-2-enyl]carbamate
PubChem CID169470410
Molecular FormulaC25H19F4NO3
Molecular Weight457.42 g/mol
Exact Mass457.13
IUPAC Name9H-fluoren-9-ylmethyl N-[3-[3-fluoro-4-(trifluoromethoxy)phenyl]prop-2-enyl]carbamate
SMILESO=C(NCC=Cc1ccc(OC(F)(F)F)c(F)c1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H19F4NO3/c26-22-14-16(11-12-23(22)33-25(27,28)29)6-5-13-30-24(31)32-15-21-19-9-3-1-7-17(19)18-8-2-4-10-20(18)21/h1-12,14,21H,13,15H2,(H,30,31)
InChIKeyQEESGXYOCPHKBL-UHFFFAOYSA-N
XLogP6.28
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.42
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9H-fluoren-9-ylmethyl N-[3-[4-amino-3-(trifluoromethoxy)phenyl]prop-2-enyl]carbamate
CID 169470459
9H-fluoren-9-ylmethyl N-[3-(3-fluoro-4-hydroxyphenyl)prop-2-enyl]carbamate
CID 169469128
9H-fluoren-9-ylmethyl N-[3-[4-(chloromethyl)-3-fluorophenyl]prop-2-enyl]carbamate
CID 169469379
9H-fluoren-9-ylmethyl N-[3-(3-fluoro-4-hydrazinylphenyl)prop-2-enyl]carbamate
CID 169469493
9H-fluoren-9-ylmethyl N-[3-[3,5-bis(trifluoromethyl)phenyl]prop-2-enyl]carbamate
CID 169470525
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-[3-methoxy-4-(trifluoromethyl)phenyl]prop-2-enyl]carbamate
CID 169470404
4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-2-(trifluoromethyl)benzoic acid
CID 169470470
9H-fluoren-9-ylmethyl N-[3-(3-fluoro-4-nitrophenyl)prop-2-enyl]carbamate
CID 169469969
9H-fluoren-9-ylmethyl N-[3-(3-amino-4-methylphenyl)prop-2-enyl]carbamate
CID 169469269
9H-fluoren-9-ylmethyl N-[3-[4-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enyl]carbamate
CID 169470124

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-[3-fluoro-4-(trifluoromethoxy)phenyl]prop-2-enyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-[3-fluoro-4-(trifluoromethoxy)phenyl]prop-2-enyl]carbamate (CID 169470410) is 9H-fluoren-9-ylmethyl N-[3-[3-fluoro-4-(trifluoromethoxy)phenyl]prop-2-enyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-[3-fluoro-4-(trifluoromethoxy)phenyl]prop-2-enyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-[3-fluoro-4-(trifluoromethoxy)phenyl]prop-2-enyl]carbamate is O=C(NCC=Cc1ccc(OC(F)(F)F)c(F)c1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-[3-fluoro-4-(trifluoromethoxy)phenyl]prop-2-enyl]carbamate?
The InChIKey is QEESGXYOCPHKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F4NO3/c26-22-14-16(11-12-23(22)33-25(27,28)29)6-5-13-30-24(31)32-15-21-19-9-3-1-7-17(19)18-8-2-4-10-20(18)21/h1-12,14,21H,13,15H2,(H,30,31).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3-[3-fluoro-4-(trifluoromethoxy)phenyl]prop-2-enyl]carbamate?
9H-fluoren-9-ylmethyl N-[3-[3-fluoro-4-(trifluoromethoxy)phenyl]prop-2-enyl]carbamate has a molecular weight of 457.42 g/mol, XLogP of 6.28, 6 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-fluoro-4-(trifluoromethoxy)phenyl]prop-2-enyl]carbamate is sourced from PubChem (CID 169470410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).