(4-fluorocyclohex-3-en-1-yl) N-tert-butylcarbamate

C11H18FNO2 — CID 91309759

IUPAC(4-fluorocyclohex-3-en-1-yl) N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC1CC=C(F)CC1
InChIInChI=1S/C11H18FNO2/c1-11(2,3)13-10(14)15-9-6-4-8(12)5-7-9/h4,9H,5-7H2,1-3H3,(H,13,14)
InChIKeyFPZDAZBZHRJVIG-UHFFFAOYSA-N
MW215.27 g/mol
LogP2.92
Rot. Bonds1

About (4-fluorocyclohex-3-en-1-yl) N-tert-butylcarbamate

(4-fluorocyclohex-3-en-1-yl) N-tert-butylcarbamate (PubChem CID 91309759) has the molecular formula C11H18FNO2 and a molecular weight of 215.27 g/mol. Its IUPAC name is (4-fluorocyclohex-3-en-1-yl) N-tert-butylcarbamate.

Molecular Properties

Compound Name(4-fluorocyclohex-3-en-1-yl) N-tert-butylcarbamate
PubChem CID91309759
Molecular FormulaC11H18FNO2
Molecular Weight215.27 g/mol
Exact Mass215.13
IUPAC Name(4-fluorocyclohex-3-en-1-yl) N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC1CC=C(F)CC1
InChIInChI=1S/C11H18FNO2/c1-11(2,3)13-10(14)15-9-6-4-8(12)5-7-9/h4,9H,5-7H2,1-3H3,(H,13,14)
InChIKeyFPZDAZBZHRJVIG-UHFFFAOYSA-N
XLogP2.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-fluorocyclohex-3-en-1-yl) N-tert-butylcarbamate?
The IUPAC name of (4-fluorocyclohex-3-en-1-yl) N-tert-butylcarbamate (CID 91309759) is (4-fluorocyclohex-3-en-1-yl) N-tert-butylcarbamate.
What is the SMILES notation for (4-fluorocyclohex-3-en-1-yl) N-tert-butylcarbamate?
The canonical SMILES for (4-fluorocyclohex-3-en-1-yl) N-tert-butylcarbamate is CC(C)(C)NC(=O)OC1CC=C(F)CC1.
What is the InChIKey of (4-fluorocyclohex-3-en-1-yl) N-tert-butylcarbamate?
The InChIKey is FPZDAZBZHRJVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FNO2/c1-11(2,3)13-10(14)15-9-6-4-8(12)5-7-9/h4,9H,5-7H2,1-3H3,(H,13,14).
What are the key properties of (4-fluorocyclohex-3-en-1-yl) N-tert-butylcarbamate?
(4-fluorocyclohex-3-en-1-yl) N-tert-butylcarbamate has a molecular weight of 215.27 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorocyclohex-3-en-1-yl) N-tert-butylcarbamate is sourced from PubChem (CID 91309759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).