1,1-difluoro-3-[methyl-[(1S,2S)-2-(methylamino)cyclohexyl]amino]propan-2-ol

C11H22F2N2O — CID 134429423

IUPAC1,1-difluoro-3-[methyl-[(1S,2S)-2-(methylamino)cyclohexyl]amino]propan-2-ol
SMILESCN[C@H]1CCCC[C@@H]1N(C)CC(O)C(F)F
InChIInChI=1S/C11H22F2N2O/c1-14-8-5-3-4-6-9(8)15(2)7-10(16)11(12)13/h8-11,14,16H,3-7H2,1-2H3/t8-,9-,10?/m0/s1
InChIKeyGDWBTCVVVKUUNZ-XMCUXHSSSA-N
MW236.31 g/mol
LogP1.07
Rot. Bonds5

About 1,1-difluoro-3-[methyl-[(1S,2S)-2-(methylamino)cyclohexyl]amino]propan-2-ol

1,1-difluoro-3-[methyl-[(1S,2S)-2-(methylamino)cyclohexyl]amino]propan-2-ol (PubChem CID 134429423) has the molecular formula C11H22F2N2O and a molecular weight of 236.31 g/mol. Its IUPAC name is 1,1-difluoro-3-[methyl-[(1S,2S)-2-(methylamino)cyclohexyl]amino]propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-3-[methyl-[(1S,2S)-2-(methylamino)cyclohexyl]amino]propan-2-ol
PubChem CID134429423
Molecular FormulaC11H22F2N2O
Molecular Weight236.31 g/mol
Exact Mass236.17
IUPAC Name1,1-difluoro-3-[methyl-[(1S,2S)-2-(methylamino)cyclohexyl]amino]propan-2-ol
SMILESCN[C@H]1CCCC[C@@H]1N(C)CC(O)C(F)F
InChIInChI=1S/C11H22F2N2O/c1-14-8-5-3-4-6-9(8)15(2)7-10(16)11(12)13/h8-11,14,16H,3-7H2,1-2H3/t8-,9-,10?/m0/s1
InChIKeyGDWBTCVVVKUUNZ-XMCUXHSSSA-N
XLogP1.07
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1,1-difluoro-3-[methyl-[(1S,2S)-2-(methylamino)cyclohexyl]amino]propan-2-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 1,1-difluoro-3-[methyl-[(1S,2S)-2-(methylamino)cyclohexyl]amino]propan-2-ol?
The IUPAC name of 1,1-difluoro-3-[methyl-[(1S,2S)-2-(methylamino)cyclohexyl]amino]propan-2-ol (CID 134429423) is 1,1-difluoro-3-[methyl-[(1S,2S)-2-(methylamino)cyclohexyl]amino]propan-2-ol.
What is the SMILES notation for 1,1-difluoro-3-[methyl-[(1S,2S)-2-(methylamino)cyclohexyl]amino]propan-2-ol?
The canonical SMILES for 1,1-difluoro-3-[methyl-[(1S,2S)-2-(methylamino)cyclohexyl]amino]propan-2-ol is CN[C@H]1CCCC[C@@H]1N(C)CC(O)C(F)F.
What is the InChIKey of 1,1-difluoro-3-[methyl-[(1S,2S)-2-(methylamino)cyclohexyl]amino]propan-2-ol?
The InChIKey is GDWBTCVVVKUUNZ-XMCUXHSSSA-N. The full InChI is InChI=1S/C11H22F2N2O/c1-14-8-5-3-4-6-9(8)15(2)7-10(16)11(12)13/h8-11,14,16H,3-7H2,1-2H3/t8-,9-,10?/m0/s1.
What are the key properties of 1,1-difluoro-3-[methyl-[(1S,2S)-2-(methylamino)cyclohexyl]amino]propan-2-ol?
1,1-difluoro-3-[methyl-[(1S,2S)-2-(methylamino)cyclohexyl]amino]propan-2-ol has a molecular weight of 236.31 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-[methyl-[(1S,2S)-2-(methylamino)cyclohexyl]amino]propan-2-ol is sourced from PubChem (CID 134429423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).