2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cycloheptan-1-ol

C12H23F2NO2 — CID 107487173

IUPAC2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cycloheptan-1-ol
SMILESOCCN(CC(F)F)CC1CCCCCC1O
InChIInChI=1S/C12H23F2NO2/c13-12(14)9-15(6-7-16)8-10-4-2-1-3-5-11(10)17/h10-12,16-17H,1-9H2
InChIKeyRUZPNAOODTXKSU-UHFFFAOYSA-N
MW251.32 g/mol
LogP1.49
Rot. Bonds6

About 2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cycloheptan-1-ol

2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cycloheptan-1-ol (PubChem CID 107487173) has the molecular formula C12H23F2NO2 and a molecular weight of 251.32 g/mol. Its IUPAC name is 2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cycloheptan-1-ol
PubChem CID107487173
Molecular FormulaC12H23F2NO2
Molecular Weight251.32 g/mol
Exact Mass251.17
IUPAC Name2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cycloheptan-1-ol
SMILESOCCN(CC(F)F)CC1CCCCCC1O
InChIInChI=1S/C12H23F2NO2/c13-12(14)9-15(6-7-16)8-10-4-2-1-3-5-11(10)17/h10-12,16-17H,1-9H2
InChIKeyRUZPNAOODTXKSU-UHFFFAOYSA-N
XLogP1.49
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.32
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cycloheptan-1-ol?
The IUPAC name of 2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cycloheptan-1-ol (CID 107487173) is 2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cycloheptan-1-ol.
What is the SMILES notation for 2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cycloheptan-1-ol?
The canonical SMILES for 2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cycloheptan-1-ol is OCCN(CC(F)F)CC1CCCCCC1O.
What is the InChIKey of 2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cycloheptan-1-ol?
The InChIKey is RUZPNAOODTXKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F2NO2/c13-12(14)9-15(6-7-16)8-10-4-2-1-3-5-11(10)17/h10-12,16-17H,1-9H2.
What are the key properties of 2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cycloheptan-1-ol?
2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cycloheptan-1-ol has a molecular weight of 251.32 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cycloheptan-1-ol is sourced from PubChem (CID 107487173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).