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

C24H19F3N2O2 — CID 169469934

IUPAC9H-fluoren-9-ylmethyl N-[3-[4-(trifluoromethyl)-2-pyridinyl]prop-2-enyl]carbamate
SMILESO=C(NCC=Cc1cc(C(F)(F)F)ccn1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H19F3N2O2/c25-24(26,27)16-11-13-28-17(14-16)6-5-12-29-23(30)31-15-22-20-9-3-1-7-18(20)19-8-2-4-10-21(19)22/h1-11,13-14,22H,12,15H2,(H,29,30)
InChIKeyZWOSZNLIXXBZAT-UHFFFAOYSA-N
MW424.42 g/mol
LogP5.65
Rot. Bonds5

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

9H-fluoren-9-ylmethyl N-[3-[4-(trifluoromethyl)-2-pyridinyl]prop-2-enyl]carbamate (PubChem CID 169469934) has the molecular formula C24H19F3N2O2 and a molecular weight of 424.42 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-[4-(trifluoromethyl)-2-pyridinyl]prop-2-enyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3-[4-(trifluoromethyl)-2-pyridinyl]prop-2-enyl]carbamate
PubChem CID169469934
Molecular FormulaC24H19F3N2O2
Molecular Weight424.42 g/mol
Exact Mass424.14
IUPAC Name9H-fluoren-9-ylmethyl N-[3-[4-(trifluoromethyl)-2-pyridinyl]prop-2-enyl]carbamate
SMILESO=C(NCC=Cc1cc(C(F)(F)F)ccn1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H19F3N2O2/c25-24(26,27)16-11-13-28-17(14-16)6-5-12-29-23(30)31-15-22-20-9-3-1-7-18(20)19-8-2-4-10-21(19)22/h1-11,13-14,22H,12,15H2,(H,29,30)
InChIKeyZWOSZNLIXXBZAT-UHFFFAOYSA-N
XLogP5.65
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.42
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9H-fluoren-9-ylmethyl N-[3-[3,5-bis(trifluoromethyl)phenyl]prop-2-enyl]carbamate
CID 169470525
9H-fluoren-9-ylmethyl N-[3-(2-methyl-4-pyridinyl)prop-2-enyl]carbamate
CID 169469022
9H-fluoren-9-ylmethyl N-[3-(5-fluoro-2-pyridinyl)prop-2-enyl]carbamate
CID 169469003
9H-fluoren-9-ylmethyl N-[3-[2-nitro-4-(trifluoromethyl)phenyl]prop-2-enyl]carbamate
CID 169470492
4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-2-(trifluoromethyl)benzoic acid
CID 169470470
9H-fluoren-9-ylmethyl N-[3-(2-fluoro-3-pyridinyl)prop-2-enyl]carbamate
CID 169469006
9H-fluoren-9-ylmethyl N-[3-(2,4-dichloro-3-pyridinyl)prop-2-enyl]carbamate
CID 169469283
9H-fluoren-9-ylmethyl N-[3-[3-methoxy-4-(trifluoromethyl)phenyl]prop-2-enyl]carbamate
CID 169470404
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-[4-(trifluoromethyl)-2-pyridinyl]butyl]carbamate
CID 171887038
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-fluoro-4-(trifluoromethoxy)phenyl]prop-2-enyl]carbamate
CID 169470410
9H-fluoren-9-ylmethyl N-[3-(3-fluoro-4-hydroxyphenyl)prop-2-enyl]carbamate
CID 169469128

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-[4-(trifluoromethyl)-2-pyridinyl]prop-2-enyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-[4-(trifluoromethyl)-2-pyridinyl]prop-2-enyl]carbamate (CID 169469934) is 9H-fluoren-9-ylmethyl N-[3-[4-(trifluoromethyl)-2-pyridinyl]prop-2-enyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-[4-(trifluoromethyl)-2-pyridinyl]prop-2-enyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-[4-(trifluoromethyl)-2-pyridinyl]prop-2-enyl]carbamate is O=C(NCC=Cc1cc(C(F)(F)F)ccn1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-[4-(trifluoromethyl)-2-pyridinyl]prop-2-enyl]carbamate?
The InChIKey is ZWOSZNLIXXBZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N2O2/c25-24(26,27)16-11-13-28-17(14-16)6-5-12-29-23(30)31-15-22-20-9-3-1-7-18(20)19-8-2-4-10-21(19)22/h1-11,13-14,22H,12,15H2,(H,29,30).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3-[4-(trifluoromethyl)-2-pyridinyl]prop-2-enyl]carbamate?
9H-fluoren-9-ylmethyl N-[3-[4-(trifluoromethyl)-2-pyridinyl]prop-2-enyl]carbamate has a molecular weight of 424.42 g/mol, XLogP of 5.65, 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-(trifluoromethyl)-2-pyridinyl]prop-2-enyl]carbamate is sourced from PubChem (CID 169469934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).