tert-butyl N-[(1R,2S)-2-fluorocyclopropyl]-N-(1-phenylethyl)carbamate

C16H22FNO2 — CID 14919288

IUPACtert-butyl N-[(1R,2S)-2-fluorocyclopropyl]-N-(1-phenylethyl)carbamate
SMILESCC(c1ccccc1)N(C(=O)OC(C)(C)C)[C@@H]1C[C@@H]1F
InChIInChI=1S/C16H22FNO2/c1-11(12-8-6-5-7-9-12)18(14-10-13(14)17)15(19)20-16(2,3)4/h5-9,11,13-14H,10H2,1-4H3/t11?,13-,14+/m0/s1
InChIKeyABCXYOYLEAZZQI-SBKAZOPESA-N
MW279.35 g/mol
LogP4.10
Rot. Bonds3

About tert-butyl N-[(1R,2S)-2-fluorocyclopropyl]-N-(1-phenylethyl)carbamate

tert-butyl N-[(1R,2S)-2-fluorocyclopropyl]-N-(1-phenylethyl)carbamate (PubChem CID 14919288) has the molecular formula C16H22FNO2 and a molecular weight of 279.35 g/mol. Its IUPAC name is tert-butyl N-[(1R,2S)-2-fluorocyclopropyl]-N-(1-phenylethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,2S)-2-fluorocyclopropyl]-N-(1-phenylethyl)carbamate
PubChem CID14919288
Molecular FormulaC16H22FNO2
Molecular Weight279.35 g/mol
Exact Mass279.16
IUPAC Nametert-butyl N-[(1R,2S)-2-fluorocyclopropyl]-N-(1-phenylethyl)carbamate
SMILESCC(c1ccccc1)N(C(=O)OC(C)(C)C)[C@@H]1C[C@@H]1F
InChIInChI=1S/C16H22FNO2/c1-11(12-8-6-5-7-9-12)18(14-10-13(14)17)15(19)20-16(2,3)4/h5-9,11,13-14H,10H2,1-4H3/t11?,13-,14+/m0/s1
InChIKeyABCXYOYLEAZZQI-SBKAZOPESA-N
XLogP4.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,2S)-2-fluorocyclopropyl]-N-(1-phenylethyl)carbamate?
The IUPAC name of tert-butyl N-[(1R,2S)-2-fluorocyclopropyl]-N-(1-phenylethyl)carbamate (CID 14919288) is tert-butyl N-[(1R,2S)-2-fluorocyclopropyl]-N-(1-phenylethyl)carbamate.
What is the SMILES notation for tert-butyl N-[(1R,2S)-2-fluorocyclopropyl]-N-(1-phenylethyl)carbamate?
The canonical SMILES for tert-butyl N-[(1R,2S)-2-fluorocyclopropyl]-N-(1-phenylethyl)carbamate is CC(c1ccccc1)N(C(=O)OC(C)(C)C)[C@@H]1C[C@@H]1F.
What is the InChIKey of tert-butyl N-[(1R,2S)-2-fluorocyclopropyl]-N-(1-phenylethyl)carbamate?
The InChIKey is ABCXYOYLEAZZQI-SBKAZOPESA-N. The full InChI is InChI=1S/C16H22FNO2/c1-11(12-8-6-5-7-9-12)18(14-10-13(14)17)15(19)20-16(2,3)4/h5-9,11,13-14H,10H2,1-4H3/t11?,13-,14+/m0/s1.
What are the key properties of tert-butyl N-[(1R,2S)-2-fluorocyclopropyl]-N-(1-phenylethyl)carbamate?
tert-butyl N-[(1R,2S)-2-fluorocyclopropyl]-N-(1-phenylethyl)carbamate has a molecular weight of 279.35 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,2S)-2-fluorocyclopropyl]-N-(1-phenylethyl)carbamate is sourced from PubChem (CID 14919288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).