tert-butyl N-[(1S,2S,4S)-4-amino-2-fluorocyclohexyl]carbamate

C11H21FN2O2 — CID 130850378

IUPACtert-butyl N-[(1S,2S,4S)-4-amino-2-fluorocyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CC[C@H](N)C[C@@H]1F
InChIInChI=1S/C11H21FN2O2/c1-11(2,3)16-10(15)14-9-5-4-7(13)6-8(9)12/h7-9H,4-6,13H2,1-3H3,(H,14,15)/t7-,8-,9-/m0/s1
InChIKeyVYORQYIYWDBGCN-CIUDSAMLSA-N
MW232.30 g/mol
LogP1.73
Rot. Bonds1

About tert-butyl N-[(1S,2S,4S)-4-amino-2-fluorocyclohexyl]carbamate

tert-butyl N-[(1S,2S,4S)-4-amino-2-fluorocyclohexyl]carbamate (PubChem CID 130850378) has the molecular formula C11H21FN2O2 and a molecular weight of 232.30 g/mol. Its IUPAC name is tert-butyl N-[(1S,2S,4S)-4-amino-2-fluorocyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,2S,4S)-4-amino-2-fluorocyclohexyl]carbamate
PubChem CID130850378
Molecular FormulaC11H21FN2O2
Molecular Weight232.30 g/mol
Exact Mass232.16
IUPAC Nametert-butyl N-[(1S,2S,4S)-4-amino-2-fluorocyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CC[C@H](N)C[C@@H]1F
InChIInChI=1S/C11H21FN2O2/c1-11(2,3)16-10(15)14-9-5-4-7(13)6-8(9)12/h7-9H,4-6,13H2,1-3H3,(H,14,15)/t7-,8-,9-/m0/s1
InChIKeyVYORQYIYWDBGCN-CIUDSAMLSA-N
XLogP1.73
TPSA64.35 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 ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[(1S,2S,4S)-4-amino-2-fluorocyclohexyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[(1R,2S,4S)-4-amino-2-fluorocyclohexyl]carbamate
CID 155904272
tert-butyl N-[(1S,2S,4S)-4-amino-2-methylcyclohexyl]carbamate
CID 86650624
tert-butyl N-[(1S)-3-aminocyclopentyl]carbamate
CID 129185983
tert-butyl N-[(1R)-2-aminocyclobutyl]carbamate
CID 174298554
tert-butyl N-(5-fluoroazepan-4-yl)carbamate
CID 86680071
tert-butyl N-[(1S,2R)-2-aminocyclopropyl]carbamate
CID 84766300
tert-butyl N-[(1R,2S,3R)-3-fluoro-2-methylcyclopentyl]carbamate
CID 126652040
tert-butyl N-(3-aminocyclopentyl)carbamate;hydrochloride
CID 45156792
tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate
CID 121309332
tert-butyl N-(4-aminocyclohexyl)carbamate;dihydrochloride
CID 140801985
tert-butyl N-[(1S,4R)-4-amino-2-methoxycyclopentyl]carbamate
CID 143194113
tert-butyl N-[(1R)-3-aminocyclohexyl]carbamate
CID 148734897

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,2S,4S)-4-amino-2-fluorocyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[(1S,2S,4S)-4-amino-2-fluorocyclohexyl]carbamate (CID 130850378) is tert-butyl N-[(1S,2S,4S)-4-amino-2-fluorocyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,2S,4S)-4-amino-2-fluorocyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,2S,4S)-4-amino-2-fluorocyclohexyl]carbamate is CC(C)(C)OC(=O)N[C@H]1CC[C@H](N)C[C@@H]1F.
What is the InChIKey of tert-butyl N-[(1S,2S,4S)-4-amino-2-fluorocyclohexyl]carbamate?
The InChIKey is VYORQYIYWDBGCN-CIUDSAMLSA-N. The full InChI is InChI=1S/C11H21FN2O2/c1-11(2,3)16-10(15)14-9-5-4-7(13)6-8(9)12/h7-9H,4-6,13H2,1-3H3,(H,14,15)/t7-,8-,9-/m0/s1.
What are the key properties of tert-butyl N-[(1S,2S,4S)-4-amino-2-fluorocyclohexyl]carbamate?
tert-butyl N-[(1S,2S,4S)-4-amino-2-fluorocyclohexyl]carbamate has a molecular weight of 232.30 g/mol, XLogP of 1.73, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,2S,4S)-4-amino-2-fluorocyclohexyl]carbamate is sourced from PubChem (CID 130850378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).