tert-butyl N-ethyl-N-(2-fluoropropyl)carbamate

C10H20FNO2 — CID 123629374

IUPACtert-butyl N-ethyl-N-(2-fluoropropyl)carbamate
SMILESCCN(CC(C)F)C(=O)OC(C)(C)C
InChIInChI=1S/C10H20FNO2/c1-6-12(7-8(2)11)9(13)14-10(3,4)5/h8H,6-7H2,1-5H3
InChIKeyINTHZKMOMGXPJF-UHFFFAOYSA-N
MW205.27 g/mol
LogP2.60
Rot. Bonds3

About tert-butyl N-ethyl-N-(2-fluoropropyl)carbamate

tert-butyl N-ethyl-N-(2-fluoropropyl)carbamate (PubChem CID 123629374) has the molecular formula C10H20FNO2 and a molecular weight of 205.27 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-(2-fluoropropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-(2-fluoropropyl)carbamate
PubChem CID123629374
Molecular FormulaC10H20FNO2
Molecular Weight205.27 g/mol
Exact Mass205.15
IUPAC Nametert-butyl N-ethyl-N-(2-fluoropropyl)carbamate
SMILESCCN(CC(C)F)C(=O)OC(C)(C)C
InChIInChI=1S/C10H20FNO2/c1-6-12(7-8(2)11)9(13)14-10(3,4)5/h8H,6-7H2,1-5H3
InChIKeyINTHZKMOMGXPJF-UHFFFAOYSA-N
XLogP2.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.27
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-ethyl-N-(2-methylbutyl)carbamate
CID 79470192
tert-butyl N-(2-fluoropropyl)-N-methylcarbamate
CID 123325523
tert-butyl N-(4-chloro-2-methyl-3-oxobutyl)-N-ethylcarbamate
CID 104701266
tert-butyl N-(aminomethyl)-N-ethylcarbamate
CID 130382766
tert-butyl N-ethyl-N-[(3R)-3-hydroxypentyl]carbamate
CID 89169679
tert-butyl N-ethyl-N-(3-methylbutyl)carbamate;prop-1-ene
CID 143879621
tert-butyl N-ethyl-N-(4-hydroxybutyl)carbamate
CID 87693866
tert-butyl N-(2-hydroxybutyl)-N-(2-hydroxyethyl)carbamate
CID 140978282
tert-butyl N-ethyl-N-(3-methyl-4-oxopentyl)carbamate
CID 142256576
tert-butyl N-ethyl-N-[(2S)-1-hydroxypropan-2-yl]carbamate
CID 87174502
tert-butyl N-[2-(diethylamino)ethyl]-N-ethylcarbamate
CID 176669886
acetaldehyde;acetylene;tert-butyl N,N-diethylcarbamate
CID 143752017

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-(2-fluoropropyl)carbamate?
The IUPAC name of tert-butyl N-ethyl-N-(2-fluoropropyl)carbamate (CID 123629374) is tert-butyl N-ethyl-N-(2-fluoropropyl)carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-(2-fluoropropyl)carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-(2-fluoropropyl)carbamate is CCN(CC(C)F)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-ethyl-N-(2-fluoropropyl)carbamate?
The InChIKey is INTHZKMOMGXPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO2/c1-6-12(7-8(2)11)9(13)14-10(3,4)5/h8H,6-7H2,1-5H3.
What are the key properties of tert-butyl N-ethyl-N-(2-fluoropropyl)carbamate?
tert-butyl N-ethyl-N-(2-fluoropropyl)carbamate has a molecular weight of 205.27 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-(2-fluoropropyl)carbamate is sourced from PubChem (CID 123629374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).