[(1R,2S)-2-amino-3,3-difluorocyclohexyl]carbamic acid

C7H12F2N2O2 — CID 68779730

IUPAC[(1R,2S)-2-amino-3,3-difluorocyclohexyl]carbamic acid
SMILESN[C@H]1[C@H](NC(=O)O)CCCC1(F)F
InChIInChI=1S/C7H12F2N2O2/c8-7(9)3-1-2-4(5(7)10)11-6(12)13/h4-5,11H,1-3,10H2,(H,12,13)/t4-,5+/m1/s1
InChIKeyBYCGIJFELHGRLQ-UHNVWZDZSA-N
MW194.18 g/mol
LogP0.77
Rot. Bonds1

About [(1R,2S)-2-amino-3,3-difluorocyclohexyl]carbamic acid

[(1R,2S)-2-amino-3,3-difluorocyclohexyl]carbamic acid (PubChem CID 68779730) has the molecular formula C7H12F2N2O2 and a molecular weight of 194.18 g/mol. Its IUPAC name is [(1R,2S)-2-amino-3,3-difluorocyclohexyl]carbamic acid.

Molecular Properties

Compound Name[(1R,2S)-2-amino-3,3-difluorocyclohexyl]carbamic acid
PubChem CID68779730
Molecular FormulaC7H12F2N2O2
Molecular Weight194.18 g/mol
Exact Mass194.09
IUPAC Name[(1R,2S)-2-amino-3,3-difluorocyclohexyl]carbamic acid
SMILESN[C@H]1[C@H](NC(=O)O)CCCC1(F)F
InChIInChI=1S/C7H12F2N2O2/c8-7(9)3-1-2-4(5(7)10)11-6(12)13/h4-5,11H,1-3,10H2,(H,12,13)/t4-,5+/m1/s1
InChIKeyBYCGIJFELHGRLQ-UHNVWZDZSA-N
XLogP0.77
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [(1R,2S)-2-amino-3,3-difluorocyclohexyl]carbamic acid 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 [(1R,2S)-2-amino-3,3-difluorocyclohexyl]carbamic acid?
The IUPAC name of [(1R,2S)-2-amino-3,3-difluorocyclohexyl]carbamic acid (CID 68779730) is [(1R,2S)-2-amino-3,3-difluorocyclohexyl]carbamic acid.
What is the SMILES notation for [(1R,2S)-2-amino-3,3-difluorocyclohexyl]carbamic acid?
The canonical SMILES for [(1R,2S)-2-amino-3,3-difluorocyclohexyl]carbamic acid is N[C@H]1[C@H](NC(=O)O)CCCC1(F)F.
What is the InChIKey of [(1R,2S)-2-amino-3,3-difluorocyclohexyl]carbamic acid?
The InChIKey is BYCGIJFELHGRLQ-UHNVWZDZSA-N. The full InChI is InChI=1S/C7H12F2N2O2/c8-7(9)3-1-2-4(5(7)10)11-6(12)13/h4-5,11H,1-3,10H2,(H,12,13)/t4-,5+/m1/s1.
What are the key properties of [(1R,2S)-2-amino-3,3-difluorocyclohexyl]carbamic acid?
[(1R,2S)-2-amino-3,3-difluorocyclohexyl]carbamic acid has a molecular weight of 194.18 g/mol, XLogP of 0.77, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-amino-3,3-difluorocyclohexyl]carbamic acid is sourced from PubChem (CID 68779730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).