tert-butyl N-(1-fluoropent-4-en-2-yl)carbamate

C10H18FNO2 — CID 20508337

IUPACtert-butyl N-(1-fluoropent-4-en-2-yl)carbamate
SMILESC=CCC(CF)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H18FNO2/c1-5-6-8(7-11)12-9(13)14-10(2,3)4/h5,8H,1,6-7H2,2-4H3,(H,12,13)
InChIKeyDPNSPIVSEVJNCP-UHFFFAOYSA-N
MW203.26 g/mol
LogP2.43
Rot. Bonds4

About tert-butyl N-(1-fluoropent-4-en-2-yl)carbamate

tert-butyl N-(1-fluoropent-4-en-2-yl)carbamate (PubChem CID 20508337) has the molecular formula C10H18FNO2 and a molecular weight of 203.26 g/mol. Its IUPAC name is tert-butyl N-(1-fluoropent-4-en-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-fluoropent-4-en-2-yl)carbamate
PubChem CID20508337
Molecular FormulaC10H18FNO2
Molecular Weight203.26 g/mol
Exact Mass203.13
IUPAC Nametert-butyl N-(1-fluoropent-4-en-2-yl)carbamate
SMILESC=CCC(CF)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H18FNO2/c1-5-6-8(7-11)12-9(13)14-10(2,3)4/h5,8H,1,6-7H2,2-4H3,(H,12,13)
InChIKeyDPNSPIVSEVJNCP-UHFFFAOYSA-N
XLogP2.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-fluoropent-4-en-2-yl)carbamate?
The IUPAC name of tert-butyl N-(1-fluoropent-4-en-2-yl)carbamate (CID 20508337) is tert-butyl N-(1-fluoropent-4-en-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-fluoropent-4-en-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-fluoropent-4-en-2-yl)carbamate is C=CCC(CF)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(1-fluoropent-4-en-2-yl)carbamate?
The InChIKey is DPNSPIVSEVJNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO2/c1-5-6-8(7-11)12-9(13)14-10(2,3)4/h5,8H,1,6-7H2,2-4H3,(H,12,13).
What are the key properties of tert-butyl N-(1-fluoropent-4-en-2-yl)carbamate?
tert-butyl N-(1-fluoropent-4-en-2-yl)carbamate has a molecular weight of 203.26 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-fluoropent-4-en-2-yl)carbamate is sourced from PubChem (CID 20508337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).