ethyl N-(4-fluoropentyl)-N-methylcarbamate

C9H18FNO2 — CID 142292737

IUPACethyl N-(4-fluoropentyl)-N-methylcarbamate
SMILESCCOC(=O)N(C)CCCC(C)F
InChIInChI=1S/C9H18FNO2/c1-4-13-9(12)11(3)7-5-6-8(2)10/h8H,4-7H2,1-3H3
InChIKeyAYXRZUWEMREWBR-UHFFFAOYSA-N
MW191.25 g/mol
LogP2.21
Rot. Bonds5

About ethyl N-(4-fluoropentyl)-N-methylcarbamate

ethyl N-(4-fluoropentyl)-N-methylcarbamate (PubChem CID 142292737) has the molecular formula C9H18FNO2 and a molecular weight of 191.25 g/mol. Its IUPAC name is ethyl N-(4-fluoropentyl)-N-methylcarbamate.

Molecular Properties

Compound Nameethyl N-(4-fluoropentyl)-N-methylcarbamate
PubChem CID142292737
Molecular FormulaC9H18FNO2
Molecular Weight191.25 g/mol
Exact Mass191.13
IUPAC Nameethyl N-(4-fluoropentyl)-N-methylcarbamate
SMILESCCOC(=O)N(C)CCCC(C)F
InChIInChI=1S/C9H18FNO2/c1-4-13-9(12)11(3)7-5-6-8(2)10/h8H,4-7H2,1-3H3
InChIKeyAYXRZUWEMREWBR-UHFFFAOYSA-N
XLogP2.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl N-[6-[ethoxycarbonyl(methyl)amino]hexyl]-N-methylcarbamate
CID 87185486
ethane;ethyl N-methyl-N-(3-methylbutyl)carbamate
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ethyl N-methyl-N-[3-[methyl(propanoyl)amino]propyl]carbamate
CID 170571033
ethyl N-methyl-N-octylcarbamate
CID 15790108
ethyl N-(2,2-difluoroethyl)-N-methylcarbamate
CID 115611635
ethyl N-methyl-N-(7-oxooctyl)carbamate
CID 146646007
ethyl N-(2-chloroethyl)-N-methylcarbamate
CID 12882312
ethyl N-[3-[[ethyl(propanoyl)carbamoyl]-methylamino]propyl]-N-methylcarbamate
CID 160936795
butane;ethyl N-[2-[acetyl(methyl)amino]ethyl]-N-methylcarbamate
CID 153346338
ethyl N-methyl-N-[2-[methyl(methylsulfanyl)amino]ethyl]carbamate
CID 90725170
ethyl N-(3,3-dimethylbutyl)-N-methylcarbamate
CID 162784649
ethyl N-[1-[3-hydroxypropyl(methyl)amino]-1-oxopropan-2-yl]-N-methylcarbamate
CID 168971350

Frequently Asked Questions

What is the IUPAC name of ethyl N-(4-fluoropentyl)-N-methylcarbamate?
The IUPAC name of ethyl N-(4-fluoropentyl)-N-methylcarbamate (CID 142292737) is ethyl N-(4-fluoropentyl)-N-methylcarbamate.
What is the SMILES notation for ethyl N-(4-fluoropentyl)-N-methylcarbamate?
The canonical SMILES for ethyl N-(4-fluoropentyl)-N-methylcarbamate is CCOC(=O)N(C)CCCC(C)F.
What is the InChIKey of ethyl N-(4-fluoropentyl)-N-methylcarbamate?
The InChIKey is AYXRZUWEMREWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO2/c1-4-13-9(12)11(3)7-5-6-8(2)10/h8H,4-7H2,1-3H3.
What are the key properties of ethyl N-(4-fluoropentyl)-N-methylcarbamate?
ethyl N-(4-fluoropentyl)-N-methylcarbamate has a molecular weight of 191.25 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(4-fluoropentyl)-N-methylcarbamate is sourced from PubChem (CID 142292737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).