(2R)-1,1,1-trifluoro-3-[(4-methylcyclohexyl)amino]propan-2-ol

C10H18F3NO — CID 126558146

IUPAC(2R)-1,1,1-trifluoro-3-[(4-methylcyclohexyl)amino]propan-2-ol
SMILESCC1CCC(NC[C@@H](O)C(F)(F)F)CC1
InChIInChI=1S/C10H18F3NO/c1-7-2-4-8(5-3-7)14-6-9(15)10(11,12)13/h7-9,14-15H,2-6H2,1H3/t7?,8?,9-/m1/s1
InChIKeyBDZDZLCCSDUZME-AMDVSUOASA-N
MW225.25 g/mol
LogP2.08
Rot. Bonds3

About (2R)-1,1,1-trifluoro-3-[(4-methylcyclohexyl)amino]propan-2-ol

(2R)-1,1,1-trifluoro-3-[(4-methylcyclohexyl)amino]propan-2-ol (PubChem CID 126558146) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is (2R)-1,1,1-trifluoro-3-[(4-methylcyclohexyl)amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1,1,1-trifluoro-3-[(4-methylcyclohexyl)amino]propan-2-ol
PubChem CID126558146
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name(2R)-1,1,1-trifluoro-3-[(4-methylcyclohexyl)amino]propan-2-ol
SMILESCC1CCC(NC[C@@H](O)C(F)(F)F)CC1
InChIInChI=1S/C10H18F3NO/c1-7-2-4-8(5-3-7)14-6-9(15)10(11,12)13/h7-9,14-15H,2-6H2,1H3/t7?,8?,9-/m1/s1
InChIKeyBDZDZLCCSDUZME-AMDVSUOASA-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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Related Compounds

3-(Cyclohexylamino)-1,1,1-trifluoropropan-2-ol
CID 3454746
2-[(4-Methylcyclohexyl)amino]ethanol
CID 277584
1-(3-Methyl-cyclohexylamino)-propan-2-ol
CID 3151936
2-[(4-Ethylcyclohexyl)amino]ethan-1-ol
CID 33788242
(2S)-1-(dimethylamino)-3-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-ol
CID 99784563
1-Piperidin-1-yl-3-[[3-(trifluoromethyl)cyclohexyl]amino]propan-2-ol
CID 121515899
1,1,1-Trifluoro-2-[(4-methylcyclohexyl)amino]propan-2-ol
CID 17842183
2-[(4,4-Difluoro-cyclohexylmethyl)-amino]-ethanol
CID 67152047
2-[(3,3-Difluorocyclohexyl)methylamino]ethanol
CID 68729593
3-[(4-Fluorocyclohexyl)methylamino]butan-2-ol
CID 89729225
1,1,1-Trifluoro-3-(6-methyloctylamino)propan-2-ol
CID 89935850
2-[[(1S,2S,5S)-2-(tert-butylamino)-5-(trifluoromethyl)cyclohexyl]-methylamino]ethanol
CID 134429499

Frequently Asked Questions

What is the IUPAC name of (2R)-1,1,1-trifluoro-3-[(4-methylcyclohexyl)amino]propan-2-ol?
The IUPAC name of (2R)-1,1,1-trifluoro-3-[(4-methylcyclohexyl)amino]propan-2-ol (CID 126558146) is (2R)-1,1,1-trifluoro-3-[(4-methylcyclohexyl)amino]propan-2-ol.
What is the SMILES notation for (2R)-1,1,1-trifluoro-3-[(4-methylcyclohexyl)amino]propan-2-ol?
The canonical SMILES for (2R)-1,1,1-trifluoro-3-[(4-methylcyclohexyl)amino]propan-2-ol is CC1CCC(NC[C@@H](O)C(F)(F)F)CC1.
What is the InChIKey of (2R)-1,1,1-trifluoro-3-[(4-methylcyclohexyl)amino]propan-2-ol?
The InChIKey is BDZDZLCCSDUZME-AMDVSUOASA-N. The full InChI is InChI=1S/C10H18F3NO/c1-7-2-4-8(5-3-7)14-6-9(15)10(11,12)13/h7-9,14-15H,2-6H2,1H3/t7?,8?,9-/m1/s1.
What are the key properties of (2R)-1,1,1-trifluoro-3-[(4-methylcyclohexyl)amino]propan-2-ol?
(2R)-1,1,1-trifluoro-3-[(4-methylcyclohexyl)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 (2R)-1,1,1-trifluoro-3-[(4-methylcyclohexyl)amino]propan-2-ol is sourced from PubChem (CID 126558146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).