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

C11H22FNO3 — CID 146267096

IUPACtert-butyl N-(3-fluoropropyl)-N-(3-hydroxypropyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCCO)CCCF
InChIInChI=1S/C11H22FNO3/c1-11(2,3)16-10(15)13(7-4-6-12)8-5-9-14/h14H,4-9H2,1-3H3
InChIKeyHUMJTJMAOCDJLF-UHFFFAOYSA-N
MW235.30 g/mol
LogP1.97
Rot. Bonds6

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

tert-butyl N-(3-fluoropropyl)-N-(3-hydroxypropyl)carbamate (PubChem CID 146267096) has the molecular formula C11H22FNO3 and a molecular weight of 235.30 g/mol. Its IUPAC name is tert-butyl N-(3-fluoropropyl)-N-(3-hydroxypropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-fluoropropyl)-N-(3-hydroxypropyl)carbamate
PubChem CID146267096
Molecular FormulaC11H22FNO3
Molecular Weight235.30 g/mol
Exact Mass235.16
IUPAC Nametert-butyl N-(3-fluoropropyl)-N-(3-hydroxypropyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCCO)CCCF
InChIInChI=1S/C11H22FNO3/c1-11(2,3)16-10(15)13(7-4-6-12)8-5-9-14/h14H,4-9H2,1-3H3
InChIKeyHUMJTJMAOCDJLF-UHFFFAOYSA-N
XLogP1.97
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-fluoropropyl)-N-(3-hydroxypropyl)carbamate?
The IUPAC name of tert-butyl N-(3-fluoropropyl)-N-(3-hydroxypropyl)carbamate (CID 146267096) is tert-butyl N-(3-fluoropropyl)-N-(3-hydroxypropyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-fluoropropyl)-N-(3-hydroxypropyl)carbamate?
The canonical SMILES for tert-butyl N-(3-fluoropropyl)-N-(3-hydroxypropyl)carbamate is CC(C)(C)OC(=O)N(CCCO)CCCF.
What is the InChIKey of tert-butyl N-(3-fluoropropyl)-N-(3-hydroxypropyl)carbamate?
The InChIKey is HUMJTJMAOCDJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FNO3/c1-11(2,3)16-10(15)13(7-4-6-12)8-5-9-14/h14H,4-9H2,1-3H3.
What are the key properties of tert-butyl N-(3-fluoropropyl)-N-(3-hydroxypropyl)carbamate?
tert-butyl N-(3-fluoropropyl)-N-(3-hydroxypropyl)carbamate has a molecular weight of 235.30 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-fluoropropyl)-N-(3-hydroxypropyl)carbamate is sourced from PubChem (CID 146267096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).