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

C10H15F6NO — CID 87873280

IUPAC3-amino-1,1,1-trifluoro-3-[3-(trifluoromethyl)cyclohexyl]propan-2-ol
SMILESNC(C1CCCC(C(F)(F)F)C1)C(O)C(F)(F)F
InChIInChI=1S/C10H15F6NO/c11-9(12,13)6-3-1-2-5(4-6)7(17)8(18)10(14,15)16/h5-8,18H,1-4,17H2
InChIKeyFXKFFUCOFZAOQU-UHFFFAOYSA-N
MW279.22 g/mol
LogP2.61
Rot. Bonds2

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

3-amino-1,1,1-trifluoro-3-[3-(trifluoromethyl)cyclohexyl]propan-2-ol (PubChem CID 87873280) has the molecular formula C10H15F6NO and a molecular weight of 279.22 g/mol. Its IUPAC name is 3-amino-1,1,1-trifluoro-3-[3-(trifluoromethyl)cyclohexyl]propan-2-ol.

Molecular Properties

Compound Name3-amino-1,1,1-trifluoro-3-[3-(trifluoromethyl)cyclohexyl]propan-2-ol
PubChem CID87873280
Molecular FormulaC10H15F6NO
Molecular Weight279.22 g/mol
Exact Mass279.11
IUPAC Name3-amino-1,1,1-trifluoro-3-[3-(trifluoromethyl)cyclohexyl]propan-2-ol
SMILESNC(C1CCCC(C(F)(F)F)C1)C(O)C(F)(F)F
InChIInChI=1S/C10H15F6NO/c11-9(12,13)6-3-1-2-5(4-6)7(17)8(18)10(14,15)16/h5-8,18H,1-4,17H2
InChIKeyFXKFFUCOFZAOQU-UHFFFAOYSA-N
XLogP2.61
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-amino-1,1,1-trifluoro-3-[3-(trifluoromethyl)cyclohexyl]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 3-amino-1,1,1-trifluoro-3-[3-(trifluoromethyl)cyclohexyl]propan-2-ol?
The IUPAC name of 3-amino-1,1,1-trifluoro-3-[3-(trifluoromethyl)cyclohexyl]propan-2-ol (CID 87873280) is 3-amino-1,1,1-trifluoro-3-[3-(trifluoromethyl)cyclohexyl]propan-2-ol.
What is the SMILES notation for 3-amino-1,1,1-trifluoro-3-[3-(trifluoromethyl)cyclohexyl]propan-2-ol?
The canonical SMILES for 3-amino-1,1,1-trifluoro-3-[3-(trifluoromethyl)cyclohexyl]propan-2-ol is NC(C1CCCC(C(F)(F)F)C1)C(O)C(F)(F)F.
What is the InChIKey of 3-amino-1,1,1-trifluoro-3-[3-(trifluoromethyl)cyclohexyl]propan-2-ol?
The InChIKey is FXKFFUCOFZAOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F6NO/c11-9(12,13)6-3-1-2-5(4-6)7(17)8(18)10(14,15)16/h5-8,18H,1-4,17H2.
What are the key properties of 3-amino-1,1,1-trifluoro-3-[3-(trifluoromethyl)cyclohexyl]propan-2-ol?
3-amino-1,1,1-trifluoro-3-[3-(trifluoromethyl)cyclohexyl]propan-2-ol has a molecular weight of 279.22 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,1,1-trifluoro-3-[3-(trifluoromethyl)cyclohexyl]propan-2-ol is sourced from PubChem (CID 87873280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).