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

C11H21F3N2O — CID 107484686

IUPAC2-[(2-aminocycloheptyl)-(2,2,2-trifluoroethyl)amino]ethanol
SMILESNC1CCCCCC1N(CCO)CC(F)(F)F
InChIInChI=1S/C11H21F3N2O/c12-11(13,14)8-16(6-7-17)10-5-3-1-2-4-9(10)15/h9-10,17H,1-8,15H2
InChIKeyYHPLEBIFRAPLCD-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.50
Rot. Bonds4

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

2-[(2-aminocycloheptyl)-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107484686) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-[(2-aminocycloheptyl)-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(2-aminocycloheptyl)-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107484686
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name2-[(2-aminocycloheptyl)-(2,2,2-trifluoroethyl)amino]ethanol
SMILESNC1CCCCCC1N(CCO)CC(F)(F)F
InChIInChI=1S/C11H21F3N2O/c12-11(13,14)8-16(6-7-17)10-5-3-1-2-4-9(10)15/h9-10,17H,1-8,15H2
InChIKeyYHPLEBIFRAPLCD-UHFFFAOYSA-N
XLogP1.50
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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)-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[(2-aminocycloheptyl)-(2,2,2-trifluoroethyl)amino]ethanol (CID 107484686) is 2-[(2-aminocycloheptyl)-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(2-aminocycloheptyl)-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(2-aminocycloheptyl)-(2,2,2-trifluoroethyl)amino]ethanol is NC1CCCCCC1N(CCO)CC(F)(F)F.
What is the InChIKey of 2-[(2-aminocycloheptyl)-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is YHPLEBIFRAPLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c12-11(13,14)8-16(6-7-17)10-5-3-1-2-4-9(10)15/h9-10,17H,1-8,15H2.
What are the key properties of 2-[(2-aminocycloheptyl)-(2,2,2-trifluoroethyl)amino]ethanol?
2-[(2-aminocycloheptyl)-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 254.30 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminocycloheptyl)-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107484686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).