ethyl N-(4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)carbamate

C10H14FNO2 — CID 163684566

IUPACethyl N-(4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)carbamate
SMILESCCOC(=O)NC1C=CC(F)=CC1C
InChIInChI=1S/C10H14FNO2/c1-3-14-10(13)12-9-5-4-8(11)6-7(9)2/h4-7,9H,3H2,1-2H3,(H,12,13)
InChIKeyJNSLDCDOMIDFMS-UHFFFAOYSA-N
MW199.22 g/mol
LogP2.16
Rot. Bonds2

About ethyl N-(4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)carbamate

ethyl N-(4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)carbamate (PubChem CID 163684566) has the molecular formula C10H14FNO2 and a molecular weight of 199.22 g/mol. Its IUPAC name is ethyl N-(4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)carbamate
PubChem CID163684566
Molecular FormulaC10H14FNO2
Molecular Weight199.22 g/mol
Exact Mass199.10
IUPAC Nameethyl N-(4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)carbamate
SMILESCCOC(=O)NC1C=CC(F)=CC1C
InChIInChI=1S/C10H14FNO2/c1-3-14-10(13)12-9-5-4-8(11)6-7(9)2/h4-7,9H,3H2,1-2H3,(H,12,13)
InChIKeyJNSLDCDOMIDFMS-UHFFFAOYSA-N
XLogP2.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)carbamate?
The IUPAC name of ethyl N-(4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)carbamate (CID 163684566) is ethyl N-(4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)carbamate.
What is the SMILES notation for ethyl N-(4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)carbamate?
The canonical SMILES for ethyl N-(4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)carbamate is CCOC(=O)NC1C=CC(F)=CC1C.
What is the InChIKey of ethyl N-(4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)carbamate?
The InChIKey is JNSLDCDOMIDFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO2/c1-3-14-10(13)12-9-5-4-8(11)6-7(9)2/h4-7,9H,3H2,1-2H3,(H,12,13).
What are the key properties of ethyl N-(4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)carbamate?
ethyl N-(4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)carbamate has a molecular weight of 199.22 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)carbamate is sourced from PubChem (CID 163684566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).