2,2-difluoro-3-[[3-(trifluoromethyl)cyclohexyl]amino]propan-1-ol

C10H16F5NO — CID 102609819

IUPAC2,2-difluoro-3-[[3-(trifluoromethyl)cyclohexyl]amino]propan-1-ol
SMILESOCC(F)(F)CNC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H16F5NO/c11-9(12,6-17)5-16-8-3-1-2-7(4-8)10(13,14)15/h7-8,16-17H,1-6H2
InChIKeyCOPNRBLFCMSCJU-UHFFFAOYSA-N
MW261.23 g/mol
LogP2.32
Rot. Bonds4

About 2,2-difluoro-3-[[3-(trifluoromethyl)cyclohexyl]amino]propan-1-ol

2,2-difluoro-3-[[3-(trifluoromethyl)cyclohexyl]amino]propan-1-ol (PubChem CID 102609819) has the molecular formula C10H16F5NO and a molecular weight of 261.23 g/mol. Its IUPAC name is 2,2-difluoro-3-[[3-(trifluoromethyl)cyclohexyl]amino]propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-[[3-(trifluoromethyl)cyclohexyl]amino]propan-1-ol
PubChem CID102609819
Molecular FormulaC10H16F5NO
Molecular Weight261.23 g/mol
Exact Mass261.12
IUPAC Name2,2-difluoro-3-[[3-(trifluoromethyl)cyclohexyl]amino]propan-1-ol
SMILESOCC(F)(F)CNC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H16F5NO/c11-9(12,6-17)5-16-8-3-1-2-7(4-8)10(13,14)15/h7-8,16-17H,1-6H2
InChIKeyCOPNRBLFCMSCJU-UHFFFAOYSA-N
XLogP2.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,2-difluoro-3-[[3-(trifluoromethyl)cyclohexyl]amino]propan-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 2,2-difluoro-3-[[3-(trifluoromethyl)cyclohexyl]amino]propan-1-ol?
The IUPAC name of 2,2-difluoro-3-[[3-(trifluoromethyl)cyclohexyl]amino]propan-1-ol (CID 102609819) is 2,2-difluoro-3-[[3-(trifluoromethyl)cyclohexyl]amino]propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-[[3-(trifluoromethyl)cyclohexyl]amino]propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-[[3-(trifluoromethyl)cyclohexyl]amino]propan-1-ol is OCC(F)(F)CNC1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2,2-difluoro-3-[[3-(trifluoromethyl)cyclohexyl]amino]propan-1-ol?
The InChIKey is COPNRBLFCMSCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F5NO/c11-9(12,6-17)5-16-8-3-1-2-7(4-8)10(13,14)15/h7-8,16-17H,1-6H2.
What are the key properties of 2,2-difluoro-3-[[3-(trifluoromethyl)cyclohexyl]amino]propan-1-ol?
2,2-difluoro-3-[[3-(trifluoromethyl)cyclohexyl]amino]propan-1-ol has a molecular weight of 261.23 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-[[3-(trifluoromethyl)cyclohexyl]amino]propan-1-ol is sourced from PubChem (CID 102609819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).