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

C11H20F3NO — CID 64754854

IUPAC2-[[4-(trifluoromethyl)cyclohexyl]amino]butan-1-ol
SMILESCCC(CO)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO/c1-2-9(7-16)15-10-5-3-8(4-6-10)11(12,13)14/h8-10,15-16H,2-7H2,1H3
InChIKeyFRDURDRYUXPKAU-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.47
Rot. Bonds4

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

2-[[4-(trifluoromethyl)cyclohexyl]amino]butan-1-ol (PubChem CID 64754854) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-[[4-(trifluoromethyl)cyclohexyl]amino]butan-1-ol.

Molecular Properties

Compound Name2-[[4-(trifluoromethyl)cyclohexyl]amino]butan-1-ol
PubChem CID64754854
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name2-[[4-(trifluoromethyl)cyclohexyl]amino]butan-1-ol
SMILESCCC(CO)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO/c1-2-9(7-16)15-10-5-3-8(4-6-10)11(12,13)14/h8-10,15-16H,2-7H2,1H3
InChIKeyFRDURDRYUXPKAU-UHFFFAOYSA-N
XLogP2.47
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[[4-(trifluoromethyl)cyclohexyl]amino]butan-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

Related Compounds

2-[(4-Tert-butylcyclohexyl)amino]butan-1-ol
CID 2947542
2-[(4-Methylcyclohexyl)amino]ethanol
CID 277584
2-[(4-Ethylcyclohexyl)amino]ethan-1-ol
CID 33788242
(2S)-1-(dimethylamino)-3-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-ol
CID 99784563
2-[(4,4-Difluoro-cyclohexylmethyl)-amino]-ethanol
CID 67152047
2-[(3,3-Difluorocyclohexyl)methylamino]ethanol
CID 68729593
1-[[4-(2-Aminoethyl)cyclohexyl]amino]-4-fluorobutan-1-ol
CID 70905293
3-[(4-Fluorocyclohexyl)methylamino]butan-2-ol
CID 89729225
(2R)-1,1,1-trifluoro-3-[(4-methylcyclohexyl)amino]propan-2-ol
CID 126558146
[(2S,3R)-5,5-difluoro-3-methylpiperidin-2-yl]methanol
CID 130298590
(5,5-Difluoro-3-methylpiperidin-2-yl)methanol
CID 130344116
2-[[(1S,2S,5S)-2-(tert-butylamino)-5-(trifluoromethyl)cyclohexyl]-methylamino]ethanol
CID 134429499

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(trifluoromethyl)cyclohexyl]amino]butan-1-ol?
The IUPAC name of 2-[[4-(trifluoromethyl)cyclohexyl]amino]butan-1-ol (CID 64754854) is 2-[[4-(trifluoromethyl)cyclohexyl]amino]butan-1-ol.
What is the SMILES notation for 2-[[4-(trifluoromethyl)cyclohexyl]amino]butan-1-ol?
The canonical SMILES for 2-[[4-(trifluoromethyl)cyclohexyl]amino]butan-1-ol is CCC(CO)NC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-[[4-(trifluoromethyl)cyclohexyl]amino]butan-1-ol?
The InChIKey is FRDURDRYUXPKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-2-9(7-16)15-10-5-3-8(4-6-10)11(12,13)14/h8-10,15-16H,2-7H2,1H3.
What are the key properties of 2-[[4-(trifluoromethyl)cyclohexyl]amino]butan-1-ol?
2-[[4-(trifluoromethyl)cyclohexyl]amino]butan-1-ol has a molecular weight of 239.28 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(trifluoromethyl)cyclohexyl]amino]butan-1-ol is sourced from PubChem (CID 64754854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).