methyl N-[2-(3-fluorophenoxy)ethyl]carbamate

C10H12FNO3 — CID 110477679

IUPACmethyl N-[2-(3-fluorophenoxy)ethyl]carbamate
SMILESCOC(=O)NCCOc1cccc(F)c1
InChIInChI=1S/C10H12FNO3/c1-14-10(13)12-5-6-15-9-4-2-3-8(11)7-9/h2-4,7H,5-6H2,1H3,(H,12,13)
InChIKeyULXGWFXZFCUNBI-UHFFFAOYSA-N
MW213.21 g/mol
LogP1.56
Rot. Bonds4

About methyl N-[2-(3-fluorophenoxy)ethyl]carbamate

methyl N-[2-(3-fluorophenoxy)ethyl]carbamate (PubChem CID 110477679) has the molecular formula C10H12FNO3 and a molecular weight of 213.21 g/mol. Its IUPAC name is methyl N-[2-(3-fluorophenoxy)ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(3-fluorophenoxy)ethyl]carbamate
PubChem CID110477679
Molecular FormulaC10H12FNO3
Molecular Weight213.21 g/mol
Exact Mass213.08
IUPAC Namemethyl N-[2-(3-fluorophenoxy)ethyl]carbamate
SMILESCOC(=O)NCCOc1cccc(F)c1
InChIInChI=1S/C10H12FNO3/c1-14-10(13)12-5-6-15-9-4-2-3-8(11)7-9/h2-4,7H,5-6H2,1H3,(H,12,13)
InChIKeyULXGWFXZFCUNBI-UHFFFAOYSA-N
XLogP1.56
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 51.56
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

methyl N-[2-(3-chlorophenoxy)ethyl]carbamate
CID 14496172
1-N,4-N-bis[2-(3-fluorophenoxy)ethyl]benzene-1,4-dicarboxamide
CID 166196673
2-chloro-2-fluoro-N-[2-(3-fluorophenoxy)ethyl]acetamide
CID 166427822
N-[2-(3-fluorophenoxy)ethyl]-3,5-dimethoxybenzamide
CID 113099242
2-amino-N-[2-(3-fluorophenoxy)ethyl]-3-methylbutanamide
CID 110481408
1-[2-(dimethylamino)ethyl]-3-[2-(3-fluorophenoxy)ethyl]urea
CID 112970330
N-[2-(3-fluorophenoxy)ethyl]-2-phenylacetamide
CID 110483020
methyl 3-(3-fluorophenoxy)propanoate
CID 28889468
(2S)-2-amino-N-[2-(3-fluorophenoxy)ethyl]-3-methylpentanamide
CID 110482529
2-(3-fluorophenoxy)-N-(3-methoxypropyl)acetamide
CID 60626010
(2S)-2-(3-fluorophenoxy)-N-(2-phenoxyethyl)propanamide
CID 30865784
1-(2-ethyl-2-hydroxybutyl)-3-[2-(3-fluorophenoxy)ethyl]urea
CID 110910257

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(3-fluorophenoxy)ethyl]carbamate?
The IUPAC name of methyl N-[2-(3-fluorophenoxy)ethyl]carbamate (CID 110477679) is methyl N-[2-(3-fluorophenoxy)ethyl]carbamate.
What is the SMILES notation for methyl N-[2-(3-fluorophenoxy)ethyl]carbamate?
The canonical SMILES for methyl N-[2-(3-fluorophenoxy)ethyl]carbamate is COC(=O)NCCOc1cccc(F)c1.
What is the InChIKey of methyl N-[2-(3-fluorophenoxy)ethyl]carbamate?
The InChIKey is ULXGWFXZFCUNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO3/c1-14-10(13)12-5-6-15-9-4-2-3-8(11)7-9/h2-4,7H,5-6H2,1H3,(H,12,13).
What are the key properties of methyl N-[2-(3-fluorophenoxy)ethyl]carbamate?
methyl N-[2-(3-fluorophenoxy)ethyl]carbamate has a molecular weight of 213.21 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(3-fluorophenoxy)ethyl]carbamate is sourced from PubChem (CID 110477679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).