tert-butyl N-[(E)-3-fluoro-5-hydroxypent-2-enyl]carbamate

C10H18FNO3 — CID 23394353

IUPACtert-butyl N-[(E)-3-fluoro-5-hydroxypent-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NC/C=C(/F)CCO
InChIInChI=1S/C10H18FNO3/c1-10(2,3)15-9(14)12-6-4-8(11)5-7-13/h4,13H,5-7H2,1-3H3,(H,12,14)/b8-4+
InChIKeyRUWDQSCRWZZMQC-XBXARRHUSA-N
MW219.26 g/mol
LogP1.75
Rot. Bonds4

About tert-butyl N-[(E)-3-fluoro-5-hydroxypent-2-enyl]carbamate

tert-butyl N-[(E)-3-fluoro-5-hydroxypent-2-enyl]carbamate (PubChem CID 23394353) has the molecular formula C10H18FNO3 and a molecular weight of 219.26 g/mol. Its IUPAC name is tert-butyl N-[(E)-3-fluoro-5-hydroxypent-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(E)-3-fluoro-5-hydroxypent-2-enyl]carbamate
PubChem CID23394353
Molecular FormulaC10H18FNO3
Molecular Weight219.26 g/mol
Exact Mass219.13
IUPAC Nametert-butyl N-[(E)-3-fluoro-5-hydroxypent-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NC/C=C(/F)CCO
InChIInChI=1S/C10H18FNO3/c1-10(2,3)15-9(14)12-6-4-8(11)5-7-13/h4,13H,5-7H2,1-3H3,(H,12,14)/b8-4+
InChIKeyRUWDQSCRWZZMQC-XBXARRHUSA-N
XLogP1.75
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(E)-3-fluoro-5-hydroxypent-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[(E)-3-fluoro-5-hydroxypent-2-enyl]carbamate (CID 23394353) is tert-butyl N-[(E)-3-fluoro-5-hydroxypent-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[(E)-3-fluoro-5-hydroxypent-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[(E)-3-fluoro-5-hydroxypent-2-enyl]carbamate is CC(C)(C)OC(=O)NC/C=C(/F)CCO.
What is the InChIKey of tert-butyl N-[(E)-3-fluoro-5-hydroxypent-2-enyl]carbamate?
The InChIKey is RUWDQSCRWZZMQC-XBXARRHUSA-N. The full InChI is InChI=1S/C10H18FNO3/c1-10(2,3)15-9(14)12-6-4-8(11)5-7-13/h4,13H,5-7H2,1-3H3,(H,12,14)/b8-4+.
What are the key properties of tert-butyl N-[(E)-3-fluoro-5-hydroxypent-2-enyl]carbamate?
tert-butyl N-[(E)-3-fluoro-5-hydroxypent-2-enyl]carbamate has a molecular weight of 219.26 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(E)-3-fluoro-5-hydroxypent-2-enyl]carbamate is sourced from PubChem (CID 23394353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).