9H-fluoren-9-ylmethyl N-[4-(4-fluorophenyl)but-3-enyl]carbamate

C25H22FNO2 — CID 170491648

IUPAC9H-fluoren-9-ylmethyl N-[4-(4-fluorophenyl)but-3-enyl]carbamate
SMILESO=C(NCCC=Cc1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H22FNO2/c26-19-14-12-18(13-15-19)7-5-6-16-27-25(28)29-17-24-22-10-3-1-8-20(22)21-9-2-4-11-23(21)24/h1-5,7-15,24H,6,16-17H2,(H,27,28)
InChIKeyBUJAUJWLLGHBHU-UHFFFAOYSA-N
MW387.45 g/mol
LogP5.77
Rot. Bonds6

About 9H-fluoren-9-ylmethyl N-[4-(4-fluorophenyl)but-3-enyl]carbamate

9H-fluoren-9-ylmethyl N-[4-(4-fluorophenyl)but-3-enyl]carbamate (PubChem CID 170491648) has the molecular formula C25H22FNO2 and a molecular weight of 387.45 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[4-(4-fluorophenyl)but-3-enyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[4-(4-fluorophenyl)but-3-enyl]carbamate
PubChem CID170491648
Molecular FormulaC25H22FNO2
Molecular Weight387.45 g/mol
Exact Mass387.16
IUPAC Name9H-fluoren-9-ylmethyl N-[4-(4-fluorophenyl)but-3-enyl]carbamate
SMILESO=C(NCCC=Cc1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H22FNO2/c26-19-14-12-18(13-15-19)7-5-6-16-27-25(28)29-17-24-22-10-3-1-8-20(22)21-9-2-4-11-23(21)24/h1-5,7-15,24H,6,16-17H2,(H,27,28)
InChIKeyBUJAUJWLLGHBHU-UHFFFAOYSA-N
XLogP5.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.45
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

9H-fluoren-9-ylmethyl N-[4-(4-bromophenyl)but-3-enyl]carbamate
CID 170493276
9H-fluoren-9-ylmethyl N-[4-(3-chloro-4-fluorophenyl)but-3-enyl]carbamate
CID 170491804
9H-fluoren-9-ylmethyl N-[4-(4-ethynylphenyl)but-3-enyl]carbamate
CID 170491777
9H-fluoren-9-ylmethyl N-[4-(2,5-difluorophenyl)but-3-enyl]carbamate
CID 170491796
9H-fluoren-9-ylmethyl N-[4-[4-(2-aminoacetyl)phenyl]but-3-enyl]carbamate
CID 170492714
2-[4-[4-(9H-fluoren-9-ylmethoxycarbonylamino)but-1-enyl]-2-fluorophenyl]acetic acid
CID 170492767
9H-fluoren-9-ylmethyl N-[4-(4-fluoro-2-formylphenyl)but-3-enyl]carbamate
CID 170492113
9H-fluoren-9-ylmethyl N-[4-(5-fluoro-2-hydroxyphenyl)but-3-enyl]carbamate
CID 170491827
9H-fluoren-9-ylmethyl N-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)but-3-enyl]carbamate
CID 170491745
9H-fluoren-9-ylmethyl N-[4-(2-carbamoyl-5-fluorophenyl)but-3-enyl]carbamate
CID 170492707
9H-fluoren-9-ylmethyl N-[4-(2H-benzotriazol-5-yl)but-3-enyl]carbamate
CID 170492410
9H-fluoren-9-ylmethyl N-[4-[4-(3-oxobutanoylamino)phenyl]but-3-enyl]carbamate
CID 170493193

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[4-(4-fluorophenyl)but-3-enyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[4-(4-fluorophenyl)but-3-enyl]carbamate (CID 170491648) is 9H-fluoren-9-ylmethyl N-[4-(4-fluorophenyl)but-3-enyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[4-(4-fluorophenyl)but-3-enyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[4-(4-fluorophenyl)but-3-enyl]carbamate is O=C(NCCC=Cc1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[4-(4-fluorophenyl)but-3-enyl]carbamate?
The InChIKey is BUJAUJWLLGHBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FNO2/c26-19-14-12-18(13-15-19)7-5-6-16-27-25(28)29-17-24-22-10-3-1-8-20(22)21-9-2-4-11-23(21)24/h1-5,7-15,24H,6,16-17H2,(H,27,28).
What are the key properties of 9H-fluoren-9-ylmethyl N-[4-(4-fluorophenyl)but-3-enyl]carbamate?
9H-fluoren-9-ylmethyl N-[4-(4-fluorophenyl)but-3-enyl]carbamate has a molecular weight of 387.45 g/mol, XLogP of 5.77, 6 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-[4-(4-fluorophenyl)but-3-enyl]carbamate is sourced from PubChem (CID 170491648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).