2-[(4-amino-1,1,1-trifluorobutan-2-yl)-pentan-3-ylamino]ethanol

C11H23F3N2O — CID 54993859

IUPAC2-[(4-amino-1,1,1-trifluorobutan-2-yl)-pentan-3-ylamino]ethanol
SMILESCCC(CC)N(CCO)C(CCN)C(F)(F)F
InChIInChI=1S/C11H23F3N2O/c1-3-9(4-2)16(7-8-17)10(5-6-15)11(12,13)14/h9-10,17H,3-8,15H2,1-2H3
InChIKeyWJWXGTCMFGHHSN-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.75
Rot. Bonds8

About 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-pentan-3-ylamino]ethanol

2-[(4-amino-1,1,1-trifluorobutan-2-yl)-pentan-3-ylamino]ethanol (PubChem CID 54993859) has the molecular formula C11H23F3N2O and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-pentan-3-ylamino]ethanol.

Molecular Properties

Compound Name2-[(4-amino-1,1,1-trifluorobutan-2-yl)-pentan-3-ylamino]ethanol
PubChem CID54993859
Molecular FormulaC11H23F3N2O
Molecular Weight256.31 g/mol
Exact Mass256.18
IUPAC Name2-[(4-amino-1,1,1-trifluorobutan-2-yl)-pentan-3-ylamino]ethanol
SMILESCCC(CC)N(CCO)C(CCN)C(F)(F)F
InChIInChI=1S/C11H23F3N2O/c1-3-9(4-2)16(7-8-17)10(5-6-15)11(12,13)14/h9-10,17H,3-8,15H2,1-2H3
InChIKeyWJWXGTCMFGHHSN-UHFFFAOYSA-N
XLogP1.75
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.75
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)-pentan-3-ylamino]ethanol?
The IUPAC name of 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-pentan-3-ylamino]ethanol (CID 54993859) is 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-pentan-3-ylamino]ethanol.
What is the SMILES notation for 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-pentan-3-ylamino]ethanol?
The canonical SMILES for 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-pentan-3-ylamino]ethanol is CCC(CC)N(CCO)C(CCN)C(F)(F)F.
What is the InChIKey of 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-pentan-3-ylamino]ethanol?
The InChIKey is WJWXGTCMFGHHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F3N2O/c1-3-9(4-2)16(7-8-17)10(5-6-15)11(12,13)14/h9-10,17H,3-8,15H2,1-2H3.
What are the key properties of 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-pentan-3-ylamino]ethanol?
2-[(4-amino-1,1,1-trifluorobutan-2-yl)-pentan-3-ylamino]ethanol has a molecular weight of 256.31 g/mol, XLogP of 1.75, 8 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)-pentan-3-ylamino]ethanol is sourced from PubChem (CID 54993859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).