(1R)-5,5,5-trifluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-1-amine

C11H21BF3NO2 — CID 140926718

IUPAC(1R)-5,5,5-trifluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-1-amine
SMILESCC1(C)OB([C@@H](N)CCCC(F)(F)F)OC1(C)C
InChIInChI=1S/C11H21BF3NO2/c1-9(2)10(3,4)18-12(17-9)8(16)6-5-7-11(13,14)15/h8H,5-7,16H2,1-4H3/t8-/m0/s1
InChIKeyOFUKBUXGPGRVSL-QMMMGPOBSA-N
MW267.10 g/mol
LogP2.68
Rot. Bonds4

About (1R)-5,5,5-trifluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-1-amine

(1R)-5,5,5-trifluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-1-amine (PubChem CID 140926718) has the molecular formula C11H21BF3NO2 and a molecular weight of 267.10 g/mol. Its IUPAC name is (1R)-5,5,5-trifluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-1-amine.

Molecular Properties

Compound Name(1R)-5,5,5-trifluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-1-amine
PubChem CID140926718
Molecular FormulaC11H21BF3NO2
Molecular Weight267.10 g/mol
Exact Mass267.16
IUPAC Name(1R)-5,5,5-trifluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-1-amine
SMILESCC1(C)OB([C@@H](N)CCCC(F)(F)F)OC1(C)C
InChIInChI=1S/C11H21BF3NO2/c1-9(2)10(3,4)18-12(17-9)8(16)6-5-7-11(13,14)15/h8H,5-7,16H2,1-4H3/t8-/m0/s1
InChIKeyOFUKBUXGPGRVSL-QMMMGPOBSA-N
XLogP2.68
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.10
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-5,5,5-trifluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-1-amine?
The IUPAC name of (1R)-5,5,5-trifluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-1-amine (CID 140926718) is (1R)-5,5,5-trifluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-1-amine.
What is the SMILES notation for (1R)-5,5,5-trifluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-1-amine?
The canonical SMILES for (1R)-5,5,5-trifluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-1-amine is CC1(C)OB([C@@H](N)CCCC(F)(F)F)OC1(C)C.
What is the InChIKey of (1R)-5,5,5-trifluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-1-amine?
The InChIKey is OFUKBUXGPGRVSL-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H21BF3NO2/c1-9(2)10(3,4)18-12(17-9)8(16)6-5-7-11(13,14)15/h8H,5-7,16H2,1-4H3/t8-/m0/s1.
What are the key properties of (1R)-5,5,5-trifluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-1-amine?
(1R)-5,5,5-trifluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-1-amine has a molecular weight of 267.10 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-5,5,5-trifluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-1-amine is sourced from PubChem (CID 140926718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).