cis-(2R,6S)-2-amino-3-(fluoromethyl)-6-methyl-5-propan-2-ylcyclohexan-1-ol

C11H22FNO — CID 142172486

IUPACcis-(2R,6S)-2-amino-3-(fluoromethyl)-6-methyl-5-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CC(CF)[C@@H](N)C(O)[C@H]1C
InChIInChI=1S/C11H22FNO/c1-6(2)9-4-8(5-12)10(13)11(14)7(9)3/h6-11,14H,4-5,13H2,1-3H3/t7-,8?,9?,10+,11?/m0/s1
InChIKeyLBWCYBGOQJEGJE-YATUCDBMSA-N
MW203.30 g/mol
LogP1.57
Rot. Bonds2

About cis-(2R,6S)-2-amino-3-(fluoromethyl)-6-methyl-5-propan-2-ylcyclohexan-1-ol

cis-(2R,6S)-2-amino-3-(fluoromethyl)-6-methyl-5-propan-2-ylcyclohexan-1-ol (PubChem CID 142172486) has the molecular formula C11H22FNO and a molecular weight of 203.30 g/mol. Its IUPAC name is cis-(2R,6S)-2-amino-3-(fluoromethyl)-6-methyl-5-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Namecis-(2R,6S)-2-amino-3-(fluoromethyl)-6-methyl-5-propan-2-ylcyclohexan-1-ol
PubChem CID142172486
Molecular FormulaC11H22FNO
Molecular Weight203.30 g/mol
Exact Mass203.17
IUPAC Namecis-(2R,6S)-2-amino-3-(fluoromethyl)-6-methyl-5-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CC(CF)[C@@H](N)C(O)[C@H]1C
InChIInChI=1S/C11H22FNO/c1-6(2)9-4-8(5-12)10(13)11(14)7(9)3/h6-11,14H,4-5,13H2,1-3H3/t7-,8?,9?,10+,11?/m0/s1
InChIKeyLBWCYBGOQJEGJE-YATUCDBMSA-N
XLogP1.57
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.30
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze cis-(2R,6S)-2-amino-3-(fluoromethyl)-6-methyl-5-propan-2-ylcyclohexan-1-ol 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 cis-(2R,6S)-2-amino-3-(fluoromethyl)-6-methyl-5-propan-2-ylcyclohexan-1-ol?
The IUPAC name of cis-(2R,6S)-2-amino-3-(fluoromethyl)-6-methyl-5-propan-2-ylcyclohexan-1-ol (CID 142172486) is cis-(2R,6S)-2-amino-3-(fluoromethyl)-6-methyl-5-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for cis-(2R,6S)-2-amino-3-(fluoromethyl)-6-methyl-5-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for cis-(2R,6S)-2-amino-3-(fluoromethyl)-6-methyl-5-propan-2-ylcyclohexan-1-ol is CC(C)C1CC(CF)[C@@H](N)C(O)[C@H]1C.
What is the InChIKey of cis-(2R,6S)-2-amino-3-(fluoromethyl)-6-methyl-5-propan-2-ylcyclohexan-1-ol?
The InChIKey is LBWCYBGOQJEGJE-YATUCDBMSA-N. The full InChI is InChI=1S/C11H22FNO/c1-6(2)9-4-8(5-12)10(13)11(14)7(9)3/h6-11,14H,4-5,13H2,1-3H3/t7-,8?,9?,10+,11?/m0/s1.
What are the key properties of cis-(2R,6S)-2-amino-3-(fluoromethyl)-6-methyl-5-propan-2-ylcyclohexan-1-ol?
cis-(2R,6S)-2-amino-3-(fluoromethyl)-6-methyl-5-propan-2-ylcyclohexan-1-ol has a molecular weight of 203.30 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2R,6S)-2-amino-3-(fluoromethyl)-6-methyl-5-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 142172486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).