tert-butyl N-[(E)-5-fluorohex-4-en-3-yl]carbamate

C11H20FNO2 — CID 174672706

IUPACtert-butyl N-[(E)-5-fluorohex-4-en-3-yl]carbamate
SMILESCCC(/C=C(\C)F)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H20FNO2/c1-6-9(7-8(2)12)13-10(14)15-11(3,4)5/h7,9H,6H2,1-5H3,(H,13,14)/b8-7+
InChIKeyBXCRRSLPTVQPHP-BQYQJAHWSA-N
MW217.28 g/mol
LogP3.16
Rot. Bonds3

About tert-butyl N-[(E)-5-fluorohex-4-en-3-yl]carbamate

tert-butyl N-[(E)-5-fluorohex-4-en-3-yl]carbamate (PubChem CID 174672706) has the molecular formula C11H20FNO2 and a molecular weight of 217.28 g/mol. Its IUPAC name is tert-butyl N-[(E)-5-fluorohex-4-en-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(E)-5-fluorohex-4-en-3-yl]carbamate
PubChem CID174672706
Molecular FormulaC11H20FNO2
Molecular Weight217.28 g/mol
Exact Mass217.15
IUPAC Nametert-butyl N-[(E)-5-fluorohex-4-en-3-yl]carbamate
SMILESCCC(/C=C(\C)F)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H20FNO2/c1-6-9(7-8(2)12)13-10(14)15-11(3,4)5/h7,9H,6H2,1-5H3,(H,13,14)/b8-7+
InChIKeyBXCRRSLPTVQPHP-BQYQJAHWSA-N
XLogP3.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(E)-5-fluorohex-4-en-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(E)-5-fluorohex-4-en-3-yl]carbamate (CID 174672706) is tert-butyl N-[(E)-5-fluorohex-4-en-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(E)-5-fluorohex-4-en-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(E)-5-fluorohex-4-en-3-yl]carbamate is CCC(/C=C(\C)F)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(E)-5-fluorohex-4-en-3-yl]carbamate?
The InChIKey is BXCRRSLPTVQPHP-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H20FNO2/c1-6-9(7-8(2)12)13-10(14)15-11(3,4)5/h7,9H,6H2,1-5H3,(H,13,14)/b8-7+.
What are the key properties of tert-butyl N-[(E)-5-fluorohex-4-en-3-yl]carbamate?
tert-butyl N-[(E)-5-fluorohex-4-en-3-yl]carbamate has a molecular weight of 217.28 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(E)-5-fluorohex-4-en-3-yl]carbamate is sourced from PubChem (CID 174672706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).