(1R,2S,3S,4S,5S,6R)-6-amino-6-fluoro-2-methylcyclohexane-1,2,3,4,5-pentol

C7H14FNO5 — CID 162250851

IUPAC(1R,2S,3S,4S,5S,6R)-6-amino-6-fluoro-2-methylcyclohexane-1,2,3,4,5-pentol
SMILESC[C@@]1(O)[C@@H](O)[C@](N)(F)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C7H14FNO5/c1-6(14)3(11)2(10)4(12)7(8,9)5(6)13/h2-5,10-14H,9H2,1H3/t2-,3-,4-,5+,6-,7-/m0/s1
InChIKeyITKNMCIIQVUVEH-GESKJZQWSA-N
MW211.19 g/mol
LogP-3.18
Rot. Bonds

About (1R,2S,3S,4S,5S,6R)-6-amino-6-fluoro-2-methylcyclohexane-1,2,3,4,5-pentol

(1R,2S,3S,4S,5S,6R)-6-amino-6-fluoro-2-methylcyclohexane-1,2,3,4,5-pentol (PubChem CID 162250851) has the molecular formula C7H14FNO5 and a molecular weight of 211.19 g/mol. Its IUPAC name is (1R,2S,3S,4S,5S,6R)-6-amino-6-fluoro-2-methylcyclohexane-1,2,3,4,5-pentol.

Molecular Properties

Compound Name(1R,2S,3S,4S,5S,6R)-6-amino-6-fluoro-2-methylcyclohexane-1,2,3,4,5-pentol
PubChem CID162250851
Molecular FormulaC7H14FNO5
Molecular Weight211.19 g/mol
Exact Mass211.09
IUPAC Name(1R,2S,3S,4S,5S,6R)-6-amino-6-fluoro-2-methylcyclohexane-1,2,3,4,5-pentol
SMILESC[C@@]1(O)[C@@H](O)[C@](N)(F)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C7H14FNO5/c1-6(14)3(11)2(10)4(12)7(8,9)5(6)13/h2-5,10-14H,9H2,1H3/t2-,3-,4-,5+,6-,7-/m0/s1
InChIKeyITKNMCIIQVUVEH-GESKJZQWSA-N
XLogP-3.18
TPSA127.17 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500211.19
LogP ≤ 5-3.18
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze (1R,2S,3S,4S,5S,6R)-6-amino-6-fluoro-2-methylcyclohexane-1,2,3,4,5-pentol 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

(2S,3S,5S,6S)-1-fluorocyclohexane-1,2,3,4,5,6-hexol
CID 67417215
5-amino-1-methylcyclohexane-1,2,3,4-tetrol
CID 15586858
(1S,2S,3R,4R,5S,6R)-7,7-dimethylbicyclo[4.1.0]heptane-1,2,3,4,5,6-hexol
CID 54385755
(1R,2S,3R,4S,5R)-2-methyl-5-propan-2-ylcyclohexane-1,2,3,4-tetrol
CID 25187162
(3R,4S,5R)-2-amino-5-(hydroxymethyl)-2-methyloxolane-3,4-diol
CID 57244459
(5R)-2-amino-5-[(1S)-1-hydroxyethyl]-2-methyloxolane-3,4-diol
CID 134169455
1,5-dimethyl-8-oxa-6-thiabicyclo[3.2.1]octane-2,3,4-triol
CID 155470805
trans-(4R,6R)-cyclohexane-1,1,2,2,3,3,4,5,6-nonol
CID 174687358
1,2,3-trimethylcyclopropan-1-ol
CID 91184731
(2S,3S,4R,5S,6S)-2-methoxy-3,6-dimethyloxane-3,4,5-triol
CID 131133904
(3R,4R,5S,6R)-6-(1-hydroxyethyl)-5-methyloxane-2,3,4,5-tetrol
CID 70388972
2,4-dimethyloxetane-2,3-diol
CID 142770026

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3S,4S,5S,6R)-6-amino-6-fluoro-2-methylcyclohexane-1,2,3,4,5-pentol?
The IUPAC name of (1R,2S,3S,4S,5S,6R)-6-amino-6-fluoro-2-methylcyclohexane-1,2,3,4,5-pentol (CID 162250851) is (1R,2S,3S,4S,5S,6R)-6-amino-6-fluoro-2-methylcyclohexane-1,2,3,4,5-pentol.
What is the SMILES notation for (1R,2S,3S,4S,5S,6R)-6-amino-6-fluoro-2-methylcyclohexane-1,2,3,4,5-pentol?
The canonical SMILES for (1R,2S,3S,4S,5S,6R)-6-amino-6-fluoro-2-methylcyclohexane-1,2,3,4,5-pentol is C[C@@]1(O)[C@@H](O)[C@](N)(F)[C@@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (1R,2S,3S,4S,5S,6R)-6-amino-6-fluoro-2-methylcyclohexane-1,2,3,4,5-pentol?
The InChIKey is ITKNMCIIQVUVEH-GESKJZQWSA-N. The full InChI is InChI=1S/C7H14FNO5/c1-6(14)3(11)2(10)4(12)7(8,9)5(6)13/h2-5,10-14H,9H2,1H3/t2-,3-,4-,5+,6-,7-/m0/s1.
What are the key properties of (1R,2S,3S,4S,5S,6R)-6-amino-6-fluoro-2-methylcyclohexane-1,2,3,4,5-pentol?
(1R,2S,3S,4S,5S,6R)-6-amino-6-fluoro-2-methylcyclohexane-1,2,3,4,5-pentol has a molecular weight of 211.19 g/mol, XLogP of -3.18, 0 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3S,4S,5S,6R)-6-amino-6-fluoro-2-methylcyclohexane-1,2,3,4,5-pentol is sourced from PubChem (CID 162250851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).