2-[(4-amino-1,1,1-trifluorobutan-2-yl)-cyclopentylamino]ethanol

C11H21F3N2O — CID 54993479

IUPAC2-[(4-amino-1,1,1-trifluorobutan-2-yl)-cyclopentylamino]ethanol
SMILESNCCC(N(CCO)C1CCCC1)C(F)(F)F
InChIInChI=1S/C11H21F3N2O/c12-11(13,14)10(5-6-15)16(7-8-17)9-3-1-2-4-9/h9-10,17H,1-8,15H2
InChIKeyKIIGTLWTUHCASG-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.50
Rot. Bonds6

About 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-cyclopentylamino]ethanol

2-[(4-amino-1,1,1-trifluorobutan-2-yl)-cyclopentylamino]ethanol (PubChem CID 54993479) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-cyclopentylamino]ethanol.

Molecular Properties

Compound Name2-[(4-amino-1,1,1-trifluorobutan-2-yl)-cyclopentylamino]ethanol
PubChem CID54993479
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name2-[(4-amino-1,1,1-trifluorobutan-2-yl)-cyclopentylamino]ethanol
SMILESNCCC(N(CCO)C1CCCC1)C(F)(F)F
InChIInChI=1S/C11H21F3N2O/c12-11(13,14)10(5-6-15)16(7-8-17)9-3-1-2-4-9/h9-10,17H,1-8,15H2
InChIKeyKIIGTLWTUHCASG-UHFFFAOYSA-N
XLogP1.50
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-cyclopentylamino]ethanol?
The IUPAC name of 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-cyclopentylamino]ethanol (CID 54993479) is 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-cyclopentylamino]ethanol.
What is the SMILES notation for 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-cyclopentylamino]ethanol?
The canonical SMILES for 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-cyclopentylamino]ethanol is NCCC(N(CCO)C1CCCC1)C(F)(F)F.
What is the InChIKey of 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-cyclopentylamino]ethanol?
The InChIKey is KIIGTLWTUHCASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c12-11(13,14)10(5-6-15)16(7-8-17)9-3-1-2-4-9/h9-10,17H,1-8,15H2.
What are the key properties of 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-cyclopentylamino]ethanol?
2-[(4-amino-1,1,1-trifluorobutan-2-yl)-cyclopentylamino]ethanol has a molecular weight of 254.30 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-cyclopentylamino]ethanol is sourced from PubChem (CID 54993479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).