(4-fluorocyclohexa-1,5-dien-1-yl) N-methylcarbamate

C8H10FNO2 — CID 89133338

IUPAC(4-fluorocyclohexa-1,5-dien-1-yl) N-methylcarbamate
SMILESCNC(=O)OC1=CCC(F)C=C1
InChIInChI=1S/C8H10FNO2/c1-10-8(11)12-7-4-2-6(9)3-5-7/h2,4-6H,3H2,1H3,(H,10,11)
InChIKeyPJPXJYWZMIQGLE-UHFFFAOYSA-N
MW171.17 g/mol
LogP1.52
Rot. Bonds1

About (4-fluorocyclohexa-1,5-dien-1-yl) N-methylcarbamate

(4-fluorocyclohexa-1,5-dien-1-yl) N-methylcarbamate (PubChem CID 89133338) has the molecular formula C8H10FNO2 and a molecular weight of 171.17 g/mol. Its IUPAC name is (4-fluorocyclohexa-1,5-dien-1-yl) N-methylcarbamate.

Molecular Properties

Compound Name(4-fluorocyclohexa-1,5-dien-1-yl) N-methylcarbamate
PubChem CID89133338
Molecular FormulaC8H10FNO2
Molecular Weight171.17 g/mol
Exact Mass171.07
IUPAC Name(4-fluorocyclohexa-1,5-dien-1-yl) N-methylcarbamate
SMILESCNC(=O)OC1=CCC(F)C=C1
InChIInChI=1S/C8H10FNO2/c1-10-8(11)12-7-4-2-6(9)3-5-7/h2,4-6H,3H2,1H3,(H,10,11)
InChIKeyPJPXJYWZMIQGLE-UHFFFAOYSA-N
XLogP1.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.17
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-fluorocyclohexa-1,5-dien-1-yl) N-methylcarbamate?
The IUPAC name of (4-fluorocyclohexa-1,5-dien-1-yl) N-methylcarbamate (CID 89133338) is (4-fluorocyclohexa-1,5-dien-1-yl) N-methylcarbamate.
What is the SMILES notation for (4-fluorocyclohexa-1,5-dien-1-yl) N-methylcarbamate?
The canonical SMILES for (4-fluorocyclohexa-1,5-dien-1-yl) N-methylcarbamate is CNC(=O)OC1=CCC(F)C=C1.
What is the InChIKey of (4-fluorocyclohexa-1,5-dien-1-yl) N-methylcarbamate?
The InChIKey is PJPXJYWZMIQGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO2/c1-10-8(11)12-7-4-2-6(9)3-5-7/h2,4-6H,3H2,1H3,(H,10,11).
What are the key properties of (4-fluorocyclohexa-1,5-dien-1-yl) N-methylcarbamate?
(4-fluorocyclohexa-1,5-dien-1-yl) N-methylcarbamate has a molecular weight of 171.17 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorocyclohexa-1,5-dien-1-yl) N-methylcarbamate is sourced from PubChem (CID 89133338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).