2-[(2-aminocycloheptyl)-(2,2-difluoroethyl)amino]ethanol

C11H22F2N2O — CID 107484683

IUPAC2-[(2-aminocycloheptyl)-(2,2-difluoroethyl)amino]ethanol
SMILESNC1CCCCCC1N(CCO)CC(F)F
InChIInChI=1S/C11H22F2N2O/c12-11(13)8-15(6-7-16)10-5-3-1-2-4-9(10)14/h9-11,16H,1-8,14H2
InChIKeyPABURBQPCGBJNQ-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.21
Rot. Bonds5

About 2-[(2-aminocycloheptyl)-(2,2-difluoroethyl)amino]ethanol

2-[(2-aminocycloheptyl)-(2,2-difluoroethyl)amino]ethanol (PubChem CID 107484683) has the molecular formula C11H22F2N2O and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[(2-aminocycloheptyl)-(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(2-aminocycloheptyl)-(2,2-difluoroethyl)amino]ethanol
PubChem CID107484683
Molecular FormulaC11H22F2N2O
Molecular Weight236.31 g/mol
Exact Mass236.17
IUPAC Name2-[(2-aminocycloheptyl)-(2,2-difluoroethyl)amino]ethanol
SMILESNC1CCCCCC1N(CCO)CC(F)F
InChIInChI=1S/C11H22F2N2O/c12-11(13)8-15(6-7-16)10-5-3-1-2-4-9(10)14/h9-11,16H,1-8,14H2
InChIKeyPABURBQPCGBJNQ-UHFFFAOYSA-N
XLogP1.21
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(2-aminocycloheptyl)-(2,2-difluoroethyl)amino]ethanol 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

3-(Cycloheptylamino)-1,1,1-trifluoropropan-2-ol
CID 3852053
(2S)-3-(cycloheptylamino)-1,1,1-trifluoropropan-2-ol
CID 40550402
(2R)-3-(cycloheptylamino)-1,1,1-trifluoropropan-2-ol
CID 40550404
2-[(3-Amino-1,1,1-trifluoropropan-2-yl)-cyclohexylamino]ethanol
CID 54993460
2-[(3-Amino-1,1,1-trifluoropropan-2-yl)-butylamino]ethanol
CID 61443893
2-[(3-Amino-1,1,1-trifluoropropan-2-yl)-pentan-3-ylamino]ethanol
CID 61580085
2-[(3-Amino-1,1,1-trifluoropropan-2-yl)-cyclopentylamino]ethanol
CID 61580127
2-[(3-Amino-1,1,1-trifluorobutan-2-yl)-butylamino]ethanol
CID 61647761
2-[(3-Amino-1,1,1-trifluoropentan-2-yl)-butylamino]ethanol
CID 61647762
2-[(3-Amino-1,1,1-trifluoropentan-2-yl)-methylamino]ethanol
CID 61647976
2-[(3-Amino-1,1,1-trifluoropentan-2-yl)-propylamino]ethanol
CID 61647979
2-[(3-Amino-1,1,1-trifluoropentan-2-yl)-ethylamino]ethanol
CID 61648028

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminocycloheptyl)-(2,2-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[(2-aminocycloheptyl)-(2,2-difluoroethyl)amino]ethanol (CID 107484683) is 2-[(2-aminocycloheptyl)-(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(2-aminocycloheptyl)-(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(2-aminocycloheptyl)-(2,2-difluoroethyl)amino]ethanol is NC1CCCCCC1N(CCO)CC(F)F.
What is the InChIKey of 2-[(2-aminocycloheptyl)-(2,2-difluoroethyl)amino]ethanol?
The InChIKey is PABURBQPCGBJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F2N2O/c12-11(13)8-15(6-7-16)10-5-3-1-2-4-9(10)14/h9-11,16H,1-8,14H2.
What are the key properties of 2-[(2-aminocycloheptyl)-(2,2-difluoroethyl)amino]ethanol?
2-[(2-aminocycloheptyl)-(2,2-difluoroethyl)amino]ethanol has a molecular weight of 236.31 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminocycloheptyl)-(2,2-difluoroethyl)amino]ethanol is sourced from PubChem (CID 107484683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).