tert-butyl N-(3-fluoropropyl)-N-propylcarbamate

C11H22FNO2 — CID 87216149

IUPACtert-butyl N-(3-fluoropropyl)-N-propylcarbamate
SMILESCCCN(CCCF)C(=O)OC(C)(C)C
InChIInChI=1S/C11H22FNO2/c1-5-8-13(9-6-7-12)10(14)15-11(2,3)4/h5-9H2,1-4H3
InChIKeyPWYBBGPXIOKGSJ-UHFFFAOYSA-N
MW219.30 g/mol
LogP2.99
Rot. Bonds5

About tert-butyl N-(3-fluoropropyl)-N-propylcarbamate

tert-butyl N-(3-fluoropropyl)-N-propylcarbamate (PubChem CID 87216149) has the molecular formula C11H22FNO2 and a molecular weight of 219.30 g/mol. Its IUPAC name is tert-butyl N-(3-fluoropropyl)-N-propylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(3-fluoropropyl)-N-propylcarbamate
PubChem CID87216149
Molecular FormulaC11H22FNO2
Molecular Weight219.30 g/mol
Exact Mass219.16
IUPAC Nametert-butyl N-(3-fluoropropyl)-N-propylcarbamate
SMILESCCCN(CCCF)C(=O)OC(C)(C)C
InChIInChI=1S/C11H22FNO2/c1-5-8-13(9-6-7-12)10(14)15-11(2,3)4/h5-9H2,1-4H3
InChIKeyPWYBBGPXIOKGSJ-UHFFFAOYSA-N
XLogP2.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.30
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-Boc-pyrrolidine
CID 643455
1-Boc-3-fluoro-3-methylazetidine
CID 55271007
tert-Butyl (3S)-3-fluoropyrrolidine-1-carboxylate
CID 18453464
tert-Butyl 3-fluoropyrrolidine-1-carboxylate
CID 25000885
tert-Butyl (3R)-3-fluoropyrrolidine-1-carboxylate
CID 40430177
tert-butyl N-(cyanomethyl)-N-ethylcarbamate
CID 47003388
Tert-butyl 4-fluoropiperidine-1-carboxylate
CID 25001215
1-Boc-3-fluoro-3-methylpyrrolidine
CID 117971374
2-fluoroethyl N,N-dipropylcarbamate
CID 129671671
tert-butyl N,N-bis(3,3-difluoropropyl)carbamate
CID 154707597
tert-butyl N-methyl-N-(2-methylpropyl)carbamate
CID 11095337
tert-Butyl diethylcarbamate
CID 13314074

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-fluoropropyl)-N-propylcarbamate?
The IUPAC name of tert-butyl N-(3-fluoropropyl)-N-propylcarbamate (CID 87216149) is tert-butyl N-(3-fluoropropyl)-N-propylcarbamate.
What is the SMILES notation for tert-butyl N-(3-fluoropropyl)-N-propylcarbamate?
The canonical SMILES for tert-butyl N-(3-fluoropropyl)-N-propylcarbamate is CCCN(CCCF)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(3-fluoropropyl)-N-propylcarbamate?
The InChIKey is PWYBBGPXIOKGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FNO2/c1-5-8-13(9-6-7-12)10(14)15-11(2,3)4/h5-9H2,1-4H3.
What are the key properties of tert-butyl N-(3-fluoropropyl)-N-propylcarbamate?
tert-butyl N-(3-fluoropropyl)-N-propylcarbamate has a molecular weight of 219.30 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-fluoropropyl)-N-propylcarbamate is sourced from PubChem (CID 87216149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).