tert-butyl N-(3-fluoropropyl)-N-(2-hydroxyethyl)carbamate

C10H20FNO3 — CID 134192595

IUPACtert-butyl N-(3-fluoropropyl)-N-(2-hydroxyethyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCO)CCCF
InChIInChI=1S/C10H20FNO3/c1-10(2,3)15-9(14)12(7-8-13)6-4-5-11/h13H,4-8H2,1-3H3
InChIKeyFHMNBDWHTXDLOT-UHFFFAOYSA-N
MW221.27 g/mol
LogP1.58
Rot. Bonds5

About tert-butyl N-(3-fluoropropyl)-N-(2-hydroxyethyl)carbamate

tert-butyl N-(3-fluoropropyl)-N-(2-hydroxyethyl)carbamate (PubChem CID 134192595) has the molecular formula C10H20FNO3 and a molecular weight of 221.27 g/mol. Its IUPAC name is tert-butyl N-(3-fluoropropyl)-N-(2-hydroxyethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-fluoropropyl)-N-(2-hydroxyethyl)carbamate
PubChem CID134192595
Molecular FormulaC10H20FNO3
Molecular Weight221.27 g/mol
Exact Mass221.14
IUPAC Nametert-butyl N-(3-fluoropropyl)-N-(2-hydroxyethyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCO)CCCF
InChIInChI=1S/C10H20FNO3/c1-10(2,3)15-9(14)12(7-8-13)6-4-5-11/h13H,4-8H2,1-3H3
InChIKeyFHMNBDWHTXDLOT-UHFFFAOYSA-N
XLogP1.58
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 51.58
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-(2-hydroxyethyl)carbamate?
The IUPAC name of tert-butyl N-(3-fluoropropyl)-N-(2-hydroxyethyl)carbamate (CID 134192595) is tert-butyl N-(3-fluoropropyl)-N-(2-hydroxyethyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-fluoropropyl)-N-(2-hydroxyethyl)carbamate?
The canonical SMILES for tert-butyl N-(3-fluoropropyl)-N-(2-hydroxyethyl)carbamate is CC(C)(C)OC(=O)N(CCO)CCCF.
What is the InChIKey of tert-butyl N-(3-fluoropropyl)-N-(2-hydroxyethyl)carbamate?
The InChIKey is FHMNBDWHTXDLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO3/c1-10(2,3)15-9(14)12(7-8-13)6-4-5-11/h13H,4-8H2,1-3H3.
What are the key properties of tert-butyl N-(3-fluoropropyl)-N-(2-hydroxyethyl)carbamate?
tert-butyl N-(3-fluoropropyl)-N-(2-hydroxyethyl)carbamate has a molecular weight of 221.27 g/mol, XLogP of 1.58, 5 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-(2-hydroxyethyl)carbamate is sourced from PubChem (CID 134192595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).