[(1S,6R)-6-amino-2,2-difluorocyclohexyl] carbamate

C7H12F2N2O2 — CID 175008568

IUPAC[(1S,6R)-6-amino-2,2-difluorocyclohexyl] carbamate
SMILESNC(=O)O[C@H]1[C@H](N)CCCC1(F)F
InChIInChI=1S/C7H12F2N2O2/c8-7(9)3-1-2-4(10)5(7)13-6(11)12/h4-5H,1-3,10H2,(H2,11,12)/t4-,5+/m1/s1
InChIKeyHQMDDKNQLJXCGK-UHNVWZDZSA-N
MW194.18 g/mol
LogP0.60
Rot. Bonds1

About [(1S,6R)-6-amino-2,2-difluorocyclohexyl] carbamate

[(1S,6R)-6-amino-2,2-difluorocyclohexyl] carbamate (PubChem CID 175008568) has the molecular formula C7H12F2N2O2 and a molecular weight of 194.18 g/mol. Its IUPAC name is [(1S,6R)-6-amino-2,2-difluorocyclohexyl] carbamate.

Molecular Properties

Compound Name[(1S,6R)-6-amino-2,2-difluorocyclohexyl] carbamate
PubChem CID175008568
Molecular FormulaC7H12F2N2O2
Molecular Weight194.18 g/mol
Exact Mass194.09
IUPAC Name[(1S,6R)-6-amino-2,2-difluorocyclohexyl] carbamate
SMILESNC(=O)O[C@H]1[C@H](N)CCCC1(F)F
InChIInChI=1S/C7H12F2N2O2/c8-7(9)3-1-2-4(10)5(7)13-6(11)12/h4-5H,1-3,10H2,(H2,11,12)/t4-,5+/m1/s1
InChIKeyHQMDDKNQLJXCGK-UHNVWZDZSA-N
XLogP0.60
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(1S,6R)-6-amino-2,2-difluorocyclohexyl] carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1S,6R)-6-amino-2,2-difluorocyclohexyl] carbamate?
The IUPAC name of [(1S,6R)-6-amino-2,2-difluorocyclohexyl] carbamate (CID 175008568) is [(1S,6R)-6-amino-2,2-difluorocyclohexyl] carbamate.
What is the SMILES notation for [(1S,6R)-6-amino-2,2-difluorocyclohexyl] carbamate?
The canonical SMILES for [(1S,6R)-6-amino-2,2-difluorocyclohexyl] carbamate is NC(=O)O[C@H]1[C@H](N)CCCC1(F)F.
What is the InChIKey of [(1S,6R)-6-amino-2,2-difluorocyclohexyl] carbamate?
The InChIKey is HQMDDKNQLJXCGK-UHNVWZDZSA-N. The full InChI is InChI=1S/C7H12F2N2O2/c8-7(9)3-1-2-4(10)5(7)13-6(11)12/h4-5H,1-3,10H2,(H2,11,12)/t4-,5+/m1/s1.
What are the key properties of [(1S,6R)-6-amino-2,2-difluorocyclohexyl] carbamate?
[(1S,6R)-6-amino-2,2-difluorocyclohexyl] carbamate has a molecular weight of 194.18 g/mol, XLogP of 0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,6R)-6-amino-2,2-difluorocyclohexyl] carbamate is sourced from PubChem (CID 175008568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).