3-[(1-aminocyclohexyl)methoxy]-1,1,1-trifluoropropan-2-ol

C10H18F3NO2 — CID 106940010

IUPAC3-[(1-aminocyclohexyl)methoxy]-1,1,1-trifluoropropan-2-ol
SMILESNC1(COCC(O)C(F)(F)F)CCCCC1
InChIInChI=1S/C10H18F3NO2/c11-10(12,13)8(15)6-16-7-9(14)4-2-1-3-5-9/h8,15H,1-7,14H2
InChIKeyREMWGSDGWOLSIO-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.59
Rot. Bonds4

About 3-[(1-aminocyclohexyl)methoxy]-1,1,1-trifluoropropan-2-ol

3-[(1-aminocyclohexyl)methoxy]-1,1,1-trifluoropropan-2-ol (PubChem CID 106940010) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 3-[(1-aminocyclohexyl)methoxy]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[(1-aminocyclohexyl)methoxy]-1,1,1-trifluoropropan-2-ol
PubChem CID106940010
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name3-[(1-aminocyclohexyl)methoxy]-1,1,1-trifluoropropan-2-ol
SMILESNC1(COCC(O)C(F)(F)F)CCCCC1
InChIInChI=1S/C10H18F3NO2/c11-10(12,13)8(15)6-16-7-9(14)4-2-1-3-5-9/h8,15H,1-7,14H2
InChIKeyREMWGSDGWOLSIO-UHFFFAOYSA-N
XLogP1.59
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(1-aminocyclohexyl)methoxy]-1,1,1-trifluoropropan-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 3-[(1-aminocyclohexyl)methoxy]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[(1-aminocyclohexyl)methoxy]-1,1,1-trifluoropropan-2-ol (CID 106940010) is 3-[(1-aminocyclohexyl)methoxy]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[(1-aminocyclohexyl)methoxy]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[(1-aminocyclohexyl)methoxy]-1,1,1-trifluoropropan-2-ol is NC1(COCC(O)C(F)(F)F)CCCCC1.
What is the InChIKey of 3-[(1-aminocyclohexyl)methoxy]-1,1,1-trifluoropropan-2-ol?
The InChIKey is REMWGSDGWOLSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c11-10(12,13)8(15)6-16-7-9(14)4-2-1-3-5-9/h8,15H,1-7,14H2.
What are the key properties of 3-[(1-aminocyclohexyl)methoxy]-1,1,1-trifluoropropan-2-ol?
3-[(1-aminocyclohexyl)methoxy]-1,1,1-trifluoropropan-2-ol has a molecular weight of 241.25 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-aminocyclohexyl)methoxy]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 106940010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).