1-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-ol

C10H18F3NO — CID 64755871

IUPAC1-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-ol
SMILESCC(O)CNC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H18F3NO/c1-7(15)6-14-9-4-2-8(3-5-9)10(11,12)13/h7-9,14-15H,2-6H2,1H3
InChIKeySKTZXQIRGOVNJF-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.08
Rot. Bonds3

About 1-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-ol

1-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-ol (PubChem CID 64755871) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 1-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-ol
PubChem CID64755871
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name1-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-ol
SMILESCC(O)CNC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H18F3NO/c1-7(15)6-14-9-4-2-8(3-5-9)10(11,12)13/h7-9,14-15H,2-6H2,1H3
InChIKeySKTZXQIRGOVNJF-UHFFFAOYSA-N
XLogP2.08
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-ol?
The IUPAC name of 1-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-ol (CID 64755871) is 1-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-ol.
What is the SMILES notation for 1-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-ol?
The canonical SMILES for 1-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-ol is CC(O)CNC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-ol?
The InChIKey is SKTZXQIRGOVNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-7(15)6-14-9-4-2-8(3-5-9)10(11,12)13/h7-9,14-15H,2-6H2,1H3.
What are the key properties of 1-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-ol?
1-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-ol has a molecular weight of 225.25 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-ol is sourced from PubChem (CID 64755871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).