benzyl N-benzyl-N-[(1R,2S)-2-fluorocyclopropyl]carbamate

C18H18FNO2 — CID 14919282

IUPACbenzyl N-benzyl-N-[(1R,2S)-2-fluorocyclopropyl]carbamate
SMILESO=C(OCc1ccccc1)N(Cc1ccccc1)[C@@H]1C[C@@H]1F
InChIInChI=1S/C18H18FNO2/c19-16-11-17(16)20(12-14-7-3-1-4-8-14)18(21)22-13-15-9-5-2-6-10-15/h1-10,16-17H,11-13H2/t16-,17+/m0/s1
InChIKeyWSORQCISEQURHO-DLBZAZTESA-N
MW299.35 g/mol
LogP3.94
Rot. Bonds5

About benzyl N-benzyl-N-[(1R,2S)-2-fluorocyclopropyl]carbamate

benzyl N-benzyl-N-[(1R,2S)-2-fluorocyclopropyl]carbamate (PubChem CID 14919282) has the molecular formula C18H18FNO2 and a molecular weight of 299.35 g/mol. Its IUPAC name is benzyl N-benzyl-N-[(1R,2S)-2-fluorocyclopropyl]carbamate.

Molecular Properties

Compound Namebenzyl N-benzyl-N-[(1R,2S)-2-fluorocyclopropyl]carbamate
PubChem CID14919282
Molecular FormulaC18H18FNO2
Molecular Weight299.35 g/mol
Exact Mass299.13
IUPAC Namebenzyl N-benzyl-N-[(1R,2S)-2-fluorocyclopropyl]carbamate
SMILESO=C(OCc1ccccc1)N(Cc1ccccc1)[C@@H]1C[C@@H]1F
InChIInChI=1S/C18H18FNO2/c19-16-11-17(16)20(12-14-7-3-1-4-8-14)18(21)22-13-15-9-5-2-6-10-15/h1-10,16-17H,11-13H2/t16-,17+/m0/s1
InChIKeyWSORQCISEQURHO-DLBZAZTESA-N
XLogP3.94
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzyl N-benzyl-N-[(1R,2S)-2-fluorocyclopropyl]carbamate?
The IUPAC name of benzyl N-benzyl-N-[(1R,2S)-2-fluorocyclopropyl]carbamate (CID 14919282) is benzyl N-benzyl-N-[(1R,2S)-2-fluorocyclopropyl]carbamate.
What is the SMILES notation for benzyl N-benzyl-N-[(1R,2S)-2-fluorocyclopropyl]carbamate?
The canonical SMILES for benzyl N-benzyl-N-[(1R,2S)-2-fluorocyclopropyl]carbamate is O=C(OCc1ccccc1)N(Cc1ccccc1)[C@@H]1C[C@@H]1F.
What is the InChIKey of benzyl N-benzyl-N-[(1R,2S)-2-fluorocyclopropyl]carbamate?
The InChIKey is WSORQCISEQURHO-DLBZAZTESA-N. The full InChI is InChI=1S/C18H18FNO2/c19-16-11-17(16)20(12-14-7-3-1-4-8-14)18(21)22-13-15-9-5-2-6-10-15/h1-10,16-17H,11-13H2/t16-,17+/m0/s1.
What are the key properties of benzyl N-benzyl-N-[(1R,2S)-2-fluorocyclopropyl]carbamate?
benzyl N-benzyl-N-[(1R,2S)-2-fluorocyclopropyl]carbamate has a molecular weight of 299.35 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-benzyl-N-[(1R,2S)-2-fluorocyclopropyl]carbamate is sourced from PubChem (CID 14919282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).