tert-butyl N-(4-fluorocyclohex-3-en-1-yl)carbamate

C11H18FNO2 — CID 45092205

IUPACtert-butyl N-(4-fluorocyclohex-3-en-1-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CC=C(F)CC1
InChIInChI=1S/C11H18FNO2/c1-11(2,3)15-10(14)13-9-6-4-8(12)5-7-9/h4,9H,5-7H2,1-3H3,(H,13,14)
InChIKeyYFTMXYHCMSSHJJ-UHFFFAOYSA-N
MW215.27 g/mol
LogP2.92
Rot. Bonds1

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

tert-butyl N-(4-fluorocyclohex-3-en-1-yl)carbamate (PubChem CID 45092205) has the molecular formula C11H18FNO2 and a molecular weight of 215.27 g/mol. Its IUPAC name is tert-butyl N-(4-fluorocyclohex-3-en-1-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-fluorocyclohex-3-en-1-yl)carbamate
PubChem CID45092205
Molecular FormulaC11H18FNO2
Molecular Weight215.27 g/mol
Exact Mass215.13
IUPAC Nametert-butyl N-(4-fluorocyclohex-3-en-1-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CC=C(F)CC1
InChIInChI=1S/C11H18FNO2/c1-11(2,3)15-10(14)13-9-6-4-8(12)5-7-9/h4,9H,5-7H2,1-3H3,(H,13,14)
InChIKeyYFTMXYHCMSSHJJ-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 tert-butyl N-(4-fluorocyclohex-3-en-1-yl)carbamate?
The IUPAC name of tert-butyl N-(4-fluorocyclohex-3-en-1-yl)carbamate (CID 45092205) is tert-butyl N-(4-fluorocyclohex-3-en-1-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4-fluorocyclohex-3-en-1-yl)carbamate?
The canonical SMILES for tert-butyl N-(4-fluorocyclohex-3-en-1-yl)carbamate is CC(C)(C)OC(=O)NC1CC=C(F)CC1.
What is the InChIKey of tert-butyl N-(4-fluorocyclohex-3-en-1-yl)carbamate?
The InChIKey is YFTMXYHCMSSHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FNO2/c1-11(2,3)15-10(14)13-9-6-4-8(12)5-7-9/h4,9H,5-7H2,1-3H3,(H,13,14).
What are the key properties of tert-butyl N-(4-fluorocyclohex-3-en-1-yl)carbamate?
tert-butyl N-(4-fluorocyclohex-3-en-1-yl)carbamate 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 tert-butyl N-(4-fluorocyclohex-3-en-1-yl)carbamate is sourced from PubChem (CID 45092205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).