3-amino-1,1,1-trifluoro-2-quinolin-5-ylpentan-2-ol

C14H15F3N2O — CID 81223759

IUPAC3-amino-1,1,1-trifluoro-2-quinolin-5-ylpentan-2-ol
SMILESCCC(N)C(O)(c1cccc2ncccc12)C(F)(F)F
InChIInChI=1S/C14H15F3N2O/c1-2-12(18)13(20,14(15,16)17)10-6-3-7-11-9(10)5-4-8-19-11/h3-8,12,20H,2,18H2,1H3
InChIKeyIQNHGSMKRDUUAZ-UHFFFAOYSA-N
MW284.28 g/mol
LogP2.72
Rot. Bonds3

About 3-amino-1,1,1-trifluoro-2-quinolin-5-ylpentan-2-ol

3-amino-1,1,1-trifluoro-2-quinolin-5-ylpentan-2-ol (PubChem CID 81223759) has the molecular formula C14H15F3N2O and a molecular weight of 284.28 g/mol. Its IUPAC name is 3-amino-1,1,1-trifluoro-2-quinolin-5-ylpentan-2-ol.

Molecular Properties

Compound Name3-amino-1,1,1-trifluoro-2-quinolin-5-ylpentan-2-ol
PubChem CID81223759
Molecular FormulaC14H15F3N2O
Molecular Weight284.28 g/mol
Exact Mass284.11
IUPAC Name3-amino-1,1,1-trifluoro-2-quinolin-5-ylpentan-2-ol
SMILESCCC(N)C(O)(c1cccc2ncccc12)C(F)(F)F
InChIInChI=1S/C14H15F3N2O/c1-2-12(18)13(20,14(15,16)17)10-6-3-7-11-9(10)5-4-8-19-11/h3-8,12,20H,2,18H2,1H3
InChIKeyIQNHGSMKRDUUAZ-UHFFFAOYSA-N
XLogP2.72
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1,1,1-trifluoro-2-quinolin-5-ylpentan-2-ol?
The IUPAC name of 3-amino-1,1,1-trifluoro-2-quinolin-5-ylpentan-2-ol (CID 81223759) is 3-amino-1,1,1-trifluoro-2-quinolin-5-ylpentan-2-ol.
What is the SMILES notation for 3-amino-1,1,1-trifluoro-2-quinolin-5-ylpentan-2-ol?
The canonical SMILES for 3-amino-1,1,1-trifluoro-2-quinolin-5-ylpentan-2-ol is CCC(N)C(O)(c1cccc2ncccc12)C(F)(F)F.
What is the InChIKey of 3-amino-1,1,1-trifluoro-2-quinolin-5-ylpentan-2-ol?
The InChIKey is IQNHGSMKRDUUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O/c1-2-12(18)13(20,14(15,16)17)10-6-3-7-11-9(10)5-4-8-19-11/h3-8,12,20H,2,18H2,1H3.
What are the key properties of 3-amino-1,1,1-trifluoro-2-quinolin-5-ylpentan-2-ol?
3-amino-1,1,1-trifluoro-2-quinolin-5-ylpentan-2-ol has a molecular weight of 284.28 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,1,1-trifluoro-2-quinolin-5-ylpentan-2-ol is sourced from PubChem (CID 81223759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).