9H-fluoren-9-ylmethyl N-[3-[(3-fluorophenyl)methoxy]propyl]carbamate

C25H24FNO3 — CID 166735627

IUPAC9H-fluoren-9-ylmethyl N-[3-[(3-fluorophenyl)methoxy]propyl]carbamate
SMILESO=C(NCCCOCc1cccc(F)c1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H24FNO3/c26-19-8-5-7-18(15-19)16-29-14-6-13-27-25(28)30-17-24-22-11-3-1-9-20(22)21-10-2-4-12-23(21)24/h1-5,7-12,15,24H,6,13-14,16-17H2,(H,27,28)
InChIKeySVNHZDBCICEMTQ-UHFFFAOYSA-N
MW405.47 g/mol
LogP5.27
Rot. Bonds8

About 9H-fluoren-9-ylmethyl N-[3-[(3-fluorophenyl)methoxy]propyl]carbamate

9H-fluoren-9-ylmethyl N-[3-[(3-fluorophenyl)methoxy]propyl]carbamate (PubChem CID 166735627) has the molecular formula C25H24FNO3 and a molecular weight of 405.47 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-[(3-fluorophenyl)methoxy]propyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3-[(3-fluorophenyl)methoxy]propyl]carbamate
PubChem CID166735627
Molecular FormulaC25H24FNO3
Molecular Weight405.47 g/mol
Exact Mass405.17
IUPAC Name9H-fluoren-9-ylmethyl N-[3-[(3-fluorophenyl)methoxy]propyl]carbamate
SMILESO=C(NCCCOCc1cccc(F)c1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H24FNO3/c26-19-8-5-7-18(15-19)16-29-14-6-13-27-25(28)30-17-24-22-11-3-1-9-20(22)21-10-2-4-12-23(21)24/h1-5,7-12,15,24H,6,13-14,16-17H2,(H,27,28)
InChIKeySVNHZDBCICEMTQ-UHFFFAOYSA-N
XLogP5.27
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.47
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9H-fluoren-9-ylmethyl N-[3-(3-aminopropoxy)propyl]carbamate
CID 142240422
tert-butyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(3-fluorophenyl)methoxy]propanoate
CID 162698814
3-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propoxy]butoxy]propylazanium chloride
CID 146015289
9H-fluoren-9-ylmethyl N-[3-(2,3-dihydroxypropoxy)propyl]carbamate
CID 58969842
9H-fluoren-9-ylmethyl N-(4,4-difluorobutyl)carbamate
CID 164675149
9H-fluoren-9-ylmethyl N-(12-aminododecyl)carbamate
CID 139208955
9H-fluoren-9-ylmethyl N-(8-hydroxyoctyl)carbamate
CID 86066146
CID 155889976
CID 155889976
9H-fluoren-9-ylmethyl N-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]ethyl]carbamate
CID 167387335
9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 154803547
9H-fluoren-9-ylmethyl N-[2-(2-aminoethoxy)ethyl]carbamate;hydrochloride
CID 2756222
9H-fluoren-9-ylmethyl N-(9-aminononyl)carbamate;hydrochloride
CID 139208949

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-[(3-fluorophenyl)methoxy]propyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-[(3-fluorophenyl)methoxy]propyl]carbamate (CID 166735627) is 9H-fluoren-9-ylmethyl N-[3-[(3-fluorophenyl)methoxy]propyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-[(3-fluorophenyl)methoxy]propyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-[(3-fluorophenyl)methoxy]propyl]carbamate is O=C(NCCCOCc1cccc(F)c1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-[(3-fluorophenyl)methoxy]propyl]carbamate?
The InChIKey is SVNHZDBCICEMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FNO3/c26-19-8-5-7-18(15-19)16-29-14-6-13-27-25(28)30-17-24-22-11-3-1-9-20(22)21-10-2-4-12-23(21)24/h1-5,7-12,15,24H,6,13-14,16-17H2,(H,27,28).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3-[(3-fluorophenyl)methoxy]propyl]carbamate?
9H-fluoren-9-ylmethyl N-[3-[(3-fluorophenyl)methoxy]propyl]carbamate has a molecular weight of 405.47 g/mol, XLogP of 5.27, 8 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-fluorophenyl)methoxy]propyl]carbamate is sourced from PubChem (CID 166735627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).