[1-(2,2,2-trifluoroethylamino)cycloheptyl]methanol

C10H18F3NO — CID 61045109

IUPAC[1-(2,2,2-trifluoroethylamino)cycloheptyl]methanol
SMILESOCC1(NCC(F)(F)F)CCCCCC1
InChIInChI=1S/C10H18F3NO/c11-10(12,13)7-14-9(8-15)5-3-1-2-4-6-9/h14-15H,1-8H2
InChIKeyRJZBMTVAQYANSV-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.22
Rot. Bonds3

About [1-(2,2,2-trifluoroethylamino)cycloheptyl]methanol

[1-(2,2,2-trifluoroethylamino)cycloheptyl]methanol (PubChem CID 61045109) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is [1-(2,2,2-trifluoroethylamino)cycloheptyl]methanol.

Molecular Properties

Compound Name[1-(2,2,2-trifluoroethylamino)cycloheptyl]methanol
PubChem CID61045109
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name[1-(2,2,2-trifluoroethylamino)cycloheptyl]methanol
SMILESOCC1(NCC(F)(F)F)CCCCCC1
InChIInChI=1S/C10H18F3NO/c11-10(12,13)7-14-9(8-15)5-3-1-2-4-6-9/h14-15H,1-8H2
InChIKeyRJZBMTVAQYANSV-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [1-(2,2,2-trifluoroethylamino)cycloheptyl]methanol 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-(2,2,2-trifluoroethylamino)cycloheptyl]methanol?
The IUPAC name of [1-(2,2,2-trifluoroethylamino)cycloheptyl]methanol (CID 61045109) is [1-(2,2,2-trifluoroethylamino)cycloheptyl]methanol.
What is the SMILES notation for [1-(2,2,2-trifluoroethylamino)cycloheptyl]methanol?
The canonical SMILES for [1-(2,2,2-trifluoroethylamino)cycloheptyl]methanol is OCC1(NCC(F)(F)F)CCCCCC1.
What is the InChIKey of [1-(2,2,2-trifluoroethylamino)cycloheptyl]methanol?
The InChIKey is RJZBMTVAQYANSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c11-10(12,13)7-14-9(8-15)5-3-1-2-4-6-9/h14-15H,1-8H2.
What are the key properties of [1-(2,2,2-trifluoroethylamino)cycloheptyl]methanol?
[1-(2,2,2-trifluoroethylamino)cycloheptyl]methanol has a molecular weight of 225.25 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2,2-trifluoroethylamino)cycloheptyl]methanol is sourced from PubChem (CID 61045109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).