9H-fluoren-9-ylmethyl N-[3-(5-fluoro-2-pyridinyl)prop-2-enyl]carbamate

C23H19FN2O2 — CID 169469003

IUPAC9H-fluoren-9-ylmethyl N-[3-(5-fluoro-2-pyridinyl)prop-2-enyl]carbamate
SMILESO=C(NCC=Cc1ccc(F)cn1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H19FN2O2/c24-16-11-12-17(26-14-16)6-5-13-25-23(27)28-15-22-20-9-3-1-7-18(20)19-8-2-4-10-21(19)22/h1-12,14,22H,13,15H2,(H,25,27)
InChIKeyVYJINUOZTGQAAW-UHFFFAOYSA-N
MW374.42 g/mol
LogP4.77
Rot. Bonds5

About 9H-fluoren-9-ylmethyl N-[3-(5-fluoro-2-pyridinyl)prop-2-enyl]carbamate

9H-fluoren-9-ylmethyl N-[3-(5-fluoro-2-pyridinyl)prop-2-enyl]carbamate (PubChem CID 169469003) has the molecular formula C23H19FN2O2 and a molecular weight of 374.42 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-(5-fluoro-2-pyridinyl)prop-2-enyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3-(5-fluoro-2-pyridinyl)prop-2-enyl]carbamate
PubChem CID169469003
Molecular FormulaC23H19FN2O2
Molecular Weight374.42 g/mol
Exact Mass374.14
IUPAC Name9H-fluoren-9-ylmethyl N-[3-(5-fluoro-2-pyridinyl)prop-2-enyl]carbamate
SMILESO=C(NCC=Cc1ccc(F)cn1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H19FN2O2/c24-16-11-12-17(26-14-16)6-5-13-25-23(27)28-15-22-20-9-3-1-7-18(20)19-8-2-4-10-21(19)22/h1-12,14,22H,13,15H2,(H,25,27)
InChIKeyVYJINUOZTGQAAW-UHFFFAOYSA-N
XLogP4.77
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 6-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyridine-3-carboxylate
CID 169469992
9H-fluoren-9-ylmethyl N-[3-(2-fluoro-3-pyridinyl)prop-2-enyl]carbamate
CID 169469006
9H-fluoren-9-ylmethyl N-[3-(2-chloro-5-fluoro-4-pyridinyl)prop-2-enyl]carbamate
CID 169470633
9H-fluoren-9-ylmethyl N-[3-[4-(trifluoromethyl)-2-pyridinyl]prop-2-enyl]carbamate
CID 169469934
9H-fluoren-9-ylmethyl N-[3-(3-fluoro-4-hydroxyphenyl)prop-2-enyl]carbamate
CID 169469128
2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-5-fluorobenzoic acid
CID 169469811
9H-fluoren-9-ylmethyl N-[3-(2,5-dichloro-3-pyridinyl)prop-2-enyl]carbamate
CID 169469280
9H-fluoren-9-ylmethyl N-[3-(3,5-dibromo-4-pyridinyl)prop-2-enyl]carbamate
CID 169470944
9H-fluoren-9-ylmethyl N-[3-(4-amino-3,5-difluorophenyl)prop-2-enyl]carbamate
CID 169469613
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-fluorophenyl)prop-2-enyl]carbamate
CID 169469568
9H-fluoren-9-ylmethyl N-[3-(2-aminophenyl)prop-2-enyl]carbamate
CID 169469017

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(5-fluoro-2-pyridinyl)prop-2-enyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(5-fluoro-2-pyridinyl)prop-2-enyl]carbamate (CID 169469003) is 9H-fluoren-9-ylmethyl N-[3-(5-fluoro-2-pyridinyl)prop-2-enyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-(5-fluoro-2-pyridinyl)prop-2-enyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-(5-fluoro-2-pyridinyl)prop-2-enyl]carbamate is O=C(NCC=Cc1ccc(F)cn1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-(5-fluoro-2-pyridinyl)prop-2-enyl]carbamate?
The InChIKey is VYJINUOZTGQAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O2/c24-16-11-12-17(26-14-16)6-5-13-25-23(27)28-15-22-20-9-3-1-7-18(20)19-8-2-4-10-21(19)22/h1-12,14,22H,13,15H2,(H,25,27).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3-(5-fluoro-2-pyridinyl)prop-2-enyl]carbamate?
9H-fluoren-9-ylmethyl N-[3-(5-fluoro-2-pyridinyl)prop-2-enyl]carbamate has a molecular weight of 374.42 g/mol, XLogP of 4.77, 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-(5-fluoro-2-pyridinyl)prop-2-enyl]carbamate is sourced from PubChem (CID 169469003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).