tert-butyl N-(3-fluoropropyl)-N-(3-oxopropyl)carbamate

C11H20FNO3 — CID 146267099

IUPACtert-butyl N-(3-fluoropropyl)-N-(3-oxopropyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCC=O)CCCF
InChIInChI=1S/C11H20FNO3/c1-11(2,3)16-10(15)13(7-4-6-12)8-5-9-14/h9H,4-8H2,1-3H3
InChIKeyCIKNQQAFBNYVTL-UHFFFAOYSA-N
MW233.28 g/mol
LogP2.17
Rot. Bonds6

About tert-butyl N-(3-fluoropropyl)-N-(3-oxopropyl)carbamate

tert-butyl N-(3-fluoropropyl)-N-(3-oxopropyl)carbamate (PubChem CID 146267099) has the molecular formula C11H20FNO3 and a molecular weight of 233.28 g/mol. Its IUPAC name is tert-butyl N-(3-fluoropropyl)-N-(3-oxopropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-fluoropropyl)-N-(3-oxopropyl)carbamate
PubChem CID146267099
Molecular FormulaC11H20FNO3
Molecular Weight233.28 g/mol
Exact Mass233.14
IUPAC Nametert-butyl N-(3-fluoropropyl)-N-(3-oxopropyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCC=O)CCCF
InChIInChI=1S/C11H20FNO3/c1-11(2,3)16-10(15)13(7-4-6-12)8-5-9-14/h9H,4-8H2,1-3H3
InChIKeyCIKNQQAFBNYVTL-UHFFFAOYSA-N
XLogP2.17
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-fluoropropyl)-N-(3-oxopropyl)carbamate?
The IUPAC name of tert-butyl N-(3-fluoropropyl)-N-(3-oxopropyl)carbamate (CID 146267099) is tert-butyl N-(3-fluoropropyl)-N-(3-oxopropyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-fluoropropyl)-N-(3-oxopropyl)carbamate?
The canonical SMILES for tert-butyl N-(3-fluoropropyl)-N-(3-oxopropyl)carbamate is CC(C)(C)OC(=O)N(CCC=O)CCCF.
What is the InChIKey of tert-butyl N-(3-fluoropropyl)-N-(3-oxopropyl)carbamate?
The InChIKey is CIKNQQAFBNYVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO3/c1-11(2,3)16-10(15)13(7-4-6-12)8-5-9-14/h9H,4-8H2,1-3H3.
What are the key properties of tert-butyl N-(3-fluoropropyl)-N-(3-oxopropyl)carbamate?
tert-butyl N-(3-fluoropropyl)-N-(3-oxopropyl)carbamate has a molecular weight of 233.28 g/mol, XLogP of 2.17, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-fluoropropyl)-N-(3-oxopropyl)carbamate is sourced from PubChem (CID 146267099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).