1-(1-Aminobutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-ol

C11H20F3NO — CID 79124207

IUPAC1-(1-aminobutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-ol
SMILESCCC(CN)C1(CCC(CC1)C(F)(F)F)O
InChIInChI=1S/C11H20F3NO/c1-2-8(7-15)10(16)5-3-9(4-6-10)11(12,13)14/h8-9,16H,2-7,15H2,1H3
InChIKeyLRZYYADJBALIFP-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.80
Rot. Bonds3

About 1-(1-Aminobutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-ol

1-(1-Aminobutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 79124207) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 1-(1-aminobutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(1-Aminobutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-ol
PubChem CID79124207
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name1-(1-aminobutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-ol
SMILESCCC(CN)C1(CCC(CC1)C(F)(F)F)O
InChIInChI=1S/C11H20F3NO/c1-2-8(7-15)10(16)5-3-9(4-6-10)11(12,13)14/h8-9,16H,2-7,15H2,1H3
InChIKeyLRZYYADJBALIFP-UHFFFAOYSA-N
XLogP2.80
TPSA46.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity222

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-Aminobutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 1-(1-Aminobutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-ol (CID 79124207) is 1-(1-aminobutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(1-Aminobutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 1-(1-Aminobutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-ol is CCC(CN)C1(CCC(CC1)C(F)(F)F)O.
What is the InChIKey of 1-(1-Aminobutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is LRZYYADJBALIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-2-8(7-15)10(16)5-3-9(4-6-10)11(12,13)14/h8-9,16H,2-7,15H2,1H3.
What are the key properties of 1-(1-Aminobutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
1-(1-Aminobutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 239.28 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-Aminobutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 79124207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).