[(1R,3S,4R)-4-amino-3-fluorocyclohexyl] carbamate

C7H13FN2O2 — CID 175048260

IUPAC[(1R,3S,4R)-4-amino-3-fluorocyclohexyl] carbamate
SMILESNC(=O)O[C@@H]1CC[C@@H](N)[C@@H](F)C1
InChIInChI=1S/C7H13FN2O2/c8-5-3-4(12-7(10)11)1-2-6(5)9/h4-6H,1-3,9H2,(H2,10,11)/t4-,5+,6-/m1/s1
InChIKeyAQGBTMPOHINOJE-NGJCXOISSA-N
MW176.19 g/mol
LogP0.30
Rot. Bonds1

About [(1R,3S,4R)-4-amino-3-fluorocyclohexyl] carbamate

[(1R,3S,4R)-4-amino-3-fluorocyclohexyl] carbamate (PubChem CID 175048260) has the molecular formula C7H13FN2O2 and a molecular weight of 176.19 g/mol. Its IUPAC name is [(1R,3S,4R)-4-amino-3-fluorocyclohexyl] carbamate.

Molecular Properties

Compound Name[(1R,3S,4R)-4-amino-3-fluorocyclohexyl] carbamate
PubChem CID175048260
Molecular FormulaC7H13FN2O2
Molecular Weight176.19 g/mol
Exact Mass176.10
IUPAC Name[(1R,3S,4R)-4-amino-3-fluorocyclohexyl] carbamate
SMILESNC(=O)O[C@@H]1CC[C@@H](N)[C@@H](F)C1
InChIInChI=1S/C7H13FN2O2/c8-5-3-4(12-7(10)11)1-2-6(5)9/h4-6H,1-3,9H2,(H2,10,11)/t4-,5+,6-/m1/s1
InChIKeyAQGBTMPOHINOJE-NGJCXOISSA-N
XLogP0.30
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.19
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-Fluoroethylamino)cyclohexyl] carbamate
CID 169771286
[(1R,2S)-2-amino-3,3-difluorocyclohexyl] carbamate
CID 175007115
[(1S,6R)-6-amino-2,2-difluorocyclohexyl] carbamate
CID 175008568
[(1S,2R)-2-amino-5,5-difluorocyclohexyl] carbamate
CID 175009016
[(1R,2R)-2-amino-3,3-difluorocyclohexyl] carbamate
CID 175009691
(4-Amino-2-fluorocyclohexyl) carbamate
CID 175166569
[4-(2,2,2-Trifluoroethylamino)cyclohexyl] carbamate
CID 175221762
(4-aminocyclohexyl) N-(2,2,2-trifluoroethyl)carbamate
CID 102729390
Trans-4-aminocyclohexyl carbamate
CID 67070291
(2-Aminocyclohexyl) carbamate
CID 104286533
[(1R,2S)-2-aminocyclohexyl] carbamate
CID 121410285
(4-Azidocyclohexyl) carbamate
CID 135185335

Frequently Asked Questions

What is the IUPAC name of [(1R,3S,4R)-4-amino-3-fluorocyclohexyl] carbamate?
The IUPAC name of [(1R,3S,4R)-4-amino-3-fluorocyclohexyl] carbamate (CID 175048260) is [(1R,3S,4R)-4-amino-3-fluorocyclohexyl] carbamate.
What is the SMILES notation for [(1R,3S,4R)-4-amino-3-fluorocyclohexyl] carbamate?
The canonical SMILES for [(1R,3S,4R)-4-amino-3-fluorocyclohexyl] carbamate is NC(=O)O[C@@H]1CC[C@@H](N)[C@@H](F)C1.
What is the InChIKey of [(1R,3S,4R)-4-amino-3-fluorocyclohexyl] carbamate?
The InChIKey is AQGBTMPOHINOJE-NGJCXOISSA-N. The full InChI is InChI=1S/C7H13FN2O2/c8-5-3-4(12-7(10)11)1-2-6(5)9/h4-6H,1-3,9H2,(H2,10,11)/t4-,5+,6-/m1/s1.
What are the key properties of [(1R,3S,4R)-4-amino-3-fluorocyclohexyl] carbamate?
[(1R,3S,4R)-4-amino-3-fluorocyclohexyl] carbamate has a molecular weight of 176.19 g/mol, XLogP of 0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S,4R)-4-amino-3-fluorocyclohexyl] carbamate is sourced from PubChem (CID 175048260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).