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

C14H18FNO2 — CID 139635170

IUPACethyl N-[(1R,2S)-2-fluorocyclopropyl]-N-(1-phenylethyl)carbamate
SMILESCCOC(=O)N(C(C)c1ccccc1)[C@@H]1C[C@@H]1F
InChIInChI=1S/C14H18FNO2/c1-3-18-14(17)16(13-9-12(13)15)10(2)11-7-5-4-6-8-11/h4-8,10,12-13H,3,9H2,1-2H3/t10?,12-,13+/m0/s1
InChIKeyVBKQMVCGVRFZSN-HEVMSJOKSA-N
MW251.30 g/mol
LogP3.32
Rot. Bonds4

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

ethyl N-[(1R,2S)-2-fluorocyclopropyl]-N-(1-phenylethyl)carbamate (PubChem CID 139635170) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is ethyl N-[(1R,2S)-2-fluorocyclopropyl]-N-(1-phenylethyl)carbamate.

Molecular Properties

Compound Nameethyl N-[(1R,2S)-2-fluorocyclopropyl]-N-(1-phenylethyl)carbamate
PubChem CID139635170
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Nameethyl N-[(1R,2S)-2-fluorocyclopropyl]-N-(1-phenylethyl)carbamate
SMILESCCOC(=O)N(C(C)c1ccccc1)[C@@H]1C[C@@H]1F
InChIInChI=1S/C14H18FNO2/c1-3-18-14(17)16(13-9-12(13)15)10(2)11-7-5-4-6-8-11/h4-8,10,12-13H,3,9H2,1-2H3/t10?,12-,13+/m0/s1
InChIKeyVBKQMVCGVRFZSN-HEVMSJOKSA-N
XLogP3.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[(1R,2S)-2-fluorocyclopropyl]-N-(1-phenylethyl)carbamate?
The IUPAC name of ethyl N-[(1R,2S)-2-fluorocyclopropyl]-N-(1-phenylethyl)carbamate (CID 139635170) is ethyl N-[(1R,2S)-2-fluorocyclopropyl]-N-(1-phenylethyl)carbamate.
What is the SMILES notation for ethyl N-[(1R,2S)-2-fluorocyclopropyl]-N-(1-phenylethyl)carbamate?
The canonical SMILES for ethyl N-[(1R,2S)-2-fluorocyclopropyl]-N-(1-phenylethyl)carbamate is CCOC(=O)N(C(C)c1ccccc1)[C@@H]1C[C@@H]1F.
What is the InChIKey of ethyl N-[(1R,2S)-2-fluorocyclopropyl]-N-(1-phenylethyl)carbamate?
The InChIKey is VBKQMVCGVRFZSN-HEVMSJOKSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-3-18-14(17)16(13-9-12(13)15)10(2)11-7-5-4-6-8-11/h4-8,10,12-13H,3,9H2,1-2H3/t10?,12-,13+/m0/s1.
What are the key properties of ethyl N-[(1R,2S)-2-fluorocyclopropyl]-N-(1-phenylethyl)carbamate?
ethyl N-[(1R,2S)-2-fluorocyclopropyl]-N-(1-phenylethyl)carbamate has a molecular weight of 251.30 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(1R,2S)-2-fluorocyclopropyl]-N-(1-phenylethyl)carbamate is sourced from PubChem (CID 139635170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).