tert-butyl N-(5-fluoroazepan-4-yl)carbamate

C11H21FN2O2 — CID 86680071

IUPACtert-butyl N-(5-fluoroazepan-4-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCNCCC1F
InChIInChI=1S/C11H21FN2O2/c1-11(2,3)16-10(15)14-9-5-7-13-6-4-8(9)12/h8-9,13H,4-7H2,1-3H3,(H,14,15)
InChIKeyKMTQQQXYBFJDEP-UHFFFAOYSA-N
MW232.30 g/mol
LogP1.60
Rot. Bonds1

About tert-butyl N-(5-fluoroazepan-4-yl)carbamate

tert-butyl N-(5-fluoroazepan-4-yl)carbamate (PubChem CID 86680071) has the molecular formula C11H21FN2O2 and a molecular weight of 232.30 g/mol. Its IUPAC name is tert-butyl N-(5-fluoroazepan-4-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-fluoroazepan-4-yl)carbamate
PubChem CID86680071
Molecular FormulaC11H21FN2O2
Molecular Weight232.30 g/mol
Exact Mass232.16
IUPAC Nametert-butyl N-(5-fluoroazepan-4-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCNCCC1F
InChIInChI=1S/C11H21FN2O2/c1-11(2,3)16-10(15)14-9-5-7-13-6-4-8(9)12/h8-9,13H,4-7H2,1-3H3,(H,14,15)
InChIKeyKMTQQQXYBFJDEP-UHFFFAOYSA-N
XLogP1.60
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(1R,2S,3R)-3-fluoro-2-methylcyclopentyl]carbamate
CID 126652040
tert-butyl N-[(4R)-4-fluoropyrrolidin-3-yl]carbamate
CID 166849692
[(3S,4R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]carbamic acid
CID 69017541
tert-butyl N-[(1R,2S,4S)-4-amino-2-fluorocyclohexyl]carbamate
CID 155904272
tert-butyl N-[(1S,2S,4S)-4-amino-2-fluorocyclohexyl]carbamate
CID 130850378
tert-butyl N-[(3R,4S)-3-hydroxypiperidin-4-yl]carbamate;carbamic acid
CID 69182337
tert-butyl N-piperidin-4-ylcarbamate;formic acid
CID 22990009
tert-butyl N-[(3R,4R)-4-fluoropyrrolidin-3-yl]carbamate;hydrochloride
CID 134813670
tert-butyl N-[(3S,4S)-4-fluoropyrrolidin-3-yl]carbamate;hydrochloride
CID 132585275
tert-butyl N-(3-methoxypiperidin-4-yl)carbamate
CID 76599311
methyl N-[(3R,4S)-3-fluoropiperidin-4-yl]carbamate
CID 131732391
tert-butyl N-[(3R,4S)-4-hydroxypiperidin-3-yl]carbamate
CID 118178604

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-fluoroazepan-4-yl)carbamate?
The IUPAC name of tert-butyl N-(5-fluoroazepan-4-yl)carbamate (CID 86680071) is tert-butyl N-(5-fluoroazepan-4-yl)carbamate.
What is the SMILES notation for tert-butyl N-(5-fluoroazepan-4-yl)carbamate?
The canonical SMILES for tert-butyl N-(5-fluoroazepan-4-yl)carbamate is CC(C)(C)OC(=O)NC1CCNCCC1F.
What is the InChIKey of tert-butyl N-(5-fluoroazepan-4-yl)carbamate?
The InChIKey is KMTQQQXYBFJDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN2O2/c1-11(2,3)16-10(15)14-9-5-7-13-6-4-8(9)12/h8-9,13H,4-7H2,1-3H3,(H,14,15).
What are the key properties of tert-butyl N-(5-fluoroazepan-4-yl)carbamate?
tert-butyl N-(5-fluoroazepan-4-yl)carbamate has a molecular weight of 232.30 g/mol, XLogP of 1.60, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-fluoroazepan-4-yl)carbamate is sourced from PubChem (CID 86680071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).