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

C12H22F3NO2 — CID 113460019

IUPAC1-methoxy-4-[[4-(trifluoromethyl)cyclohexyl]amino]butan-2-ol
SMILESCOCC(O)CCNC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H22F3NO2/c1-18-8-11(17)6-7-16-10-4-2-9(3-5-10)12(13,14)15/h9-11,16-17H,2-8H2,1H3
InChIKeyPWIBNDYLTGJKIQ-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.09
Rot. Bonds6

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

1-methoxy-4-[[4-(trifluoromethyl)cyclohexyl]amino]butan-2-ol (PubChem CID 113460019) has the molecular formula C12H22F3NO2 and a molecular weight of 269.31 g/mol. Its IUPAC name is 1-methoxy-4-[[4-(trifluoromethyl)cyclohexyl]amino]butan-2-ol.

Molecular Properties

Compound Name1-methoxy-4-[[4-(trifluoromethyl)cyclohexyl]amino]butan-2-ol
PubChem CID113460019
Molecular FormulaC12H22F3NO2
Molecular Weight269.31 g/mol
Exact Mass269.16
IUPAC Name1-methoxy-4-[[4-(trifluoromethyl)cyclohexyl]amino]butan-2-ol
SMILESCOCC(O)CCNC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H22F3NO2/c1-18-8-11(17)6-7-16-10-4-2-9(3-5-10)12(13,14)15/h9-11,16-17H,2-8H2,1H3
InChIKeyPWIBNDYLTGJKIQ-UHFFFAOYSA-N
XLogP2.09
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-methoxy-4-[[4-(trifluoromethyl)cyclohexyl]amino]butan-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 1-methoxy-4-[[4-(trifluoromethyl)cyclohexyl]amino]butan-2-ol?
The IUPAC name of 1-methoxy-4-[[4-(trifluoromethyl)cyclohexyl]amino]butan-2-ol (CID 113460019) is 1-methoxy-4-[[4-(trifluoromethyl)cyclohexyl]amino]butan-2-ol.
What is the SMILES notation for 1-methoxy-4-[[4-(trifluoromethyl)cyclohexyl]amino]butan-2-ol?
The canonical SMILES for 1-methoxy-4-[[4-(trifluoromethyl)cyclohexyl]amino]butan-2-ol is COCC(O)CCNC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-methoxy-4-[[4-(trifluoromethyl)cyclohexyl]amino]butan-2-ol?
The InChIKey is PWIBNDYLTGJKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO2/c1-18-8-11(17)6-7-16-10-4-2-9(3-5-10)12(13,14)15/h9-11,16-17H,2-8H2,1H3.
What are the key properties of 1-methoxy-4-[[4-(trifluoromethyl)cyclohexyl]amino]butan-2-ol?
1-methoxy-4-[[4-(trifluoromethyl)cyclohexyl]amino]butan-2-ol has a molecular weight of 269.31 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[[4-(trifluoromethyl)cyclohexyl]amino]butan-2-ol is sourced from PubChem (CID 113460019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).