N-(6-fluorocyclohex-3-en-1-yl)-N-methylcarbamate

C8H11FNO2- — CID 57371801

IUPACN-(6-fluorocyclohex-3-en-1-yl)-N-methylcarbamate
SMILESCN(C(=O)[O-])C1CC=CCC1F
InChIInChI=1S/C8H12FNO2/c1-10(8(11)12)7-5-3-2-4-6(7)9/h2-3,6-7H,4-5H2,1H3,(H,11,12)/p-1
InChIKeyKTUSWFURVZNCOT-UHFFFAOYSA-M
MW172.18 g/mol
LogP0.32
Rot. Bonds1

About N-(6-fluorocyclohex-3-en-1-yl)-N-methylcarbamate

N-(6-fluorocyclohex-3-en-1-yl)-N-methylcarbamate (PubChem CID 57371801) has the molecular formula C8H11FNO2- and a molecular weight of 172.18 g/mol. Its IUPAC name is N-(6-fluorocyclohex-3-en-1-yl)-N-methylcarbamate.

Molecular Properties

Compound NameN-(6-fluorocyclohex-3-en-1-yl)-N-methylcarbamate
PubChem CID57371801
Molecular FormulaC8H11FNO2-
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC NameN-(6-fluorocyclohex-3-en-1-yl)-N-methylcarbamate
SMILESCN(C(=O)[O-])C1CC=CCC1F
InChIInChI=1S/C8H12FNO2/c1-10(8(11)12)7-5-3-2-4-6(7)9/h2-3,6-7H,4-5H2,1H3,(H,11,12)/p-1
InChIKeyKTUSWFURVZNCOT-UHFFFAOYSA-M
XLogP0.32
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-fluorocyclohex-3-en-1-yl)-N-methylcarbamate?
The IUPAC name of N-(6-fluorocyclohex-3-en-1-yl)-N-methylcarbamate (CID 57371801) is N-(6-fluorocyclohex-3-en-1-yl)-N-methylcarbamate.
What is the SMILES notation for N-(6-fluorocyclohex-3-en-1-yl)-N-methylcarbamate?
The canonical SMILES for N-(6-fluorocyclohex-3-en-1-yl)-N-methylcarbamate is CN(C(=O)[O-])C1CC=CCC1F.
What is the InChIKey of N-(6-fluorocyclohex-3-en-1-yl)-N-methylcarbamate?
The InChIKey is KTUSWFURVZNCOT-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H12FNO2/c1-10(8(11)12)7-5-3-2-4-6(7)9/h2-3,6-7H,4-5H2,1H3,(H,11,12)/p-1.
What are the key properties of N-(6-fluorocyclohex-3-en-1-yl)-N-methylcarbamate?
N-(6-fluorocyclohex-3-en-1-yl)-N-methylcarbamate has a molecular weight of 172.18 g/mol, XLogP of 0.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluorocyclohex-3-en-1-yl)-N-methylcarbamate is sourced from PubChem (CID 57371801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).