1-(benzylamino)-4,4,4-trifluorobutan-2-ol

C11H14F3NO — CID 42614690

IUPAC1-(benzylamino)-4,4,4-trifluorobutan-2-ol
SMILESOC(CNCc1ccccc1)CC(F)(F)F
InChIInChI=1S/C11H14F3NO/c12-11(13,14)6-10(16)8-15-7-9-4-2-1-3-5-9/h1-5,10,15-16H,6-8H2
InChIKeyFIPYXVWKZLCGAE-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.09
Rot. Bonds5

About 1-(benzylamino)-4,4,4-trifluorobutan-2-ol

1-(benzylamino)-4,4,4-trifluorobutan-2-ol (PubChem CID 42614690) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 1-(benzylamino)-4,4,4-trifluorobutan-2-ol.

Molecular Properties

Compound Name1-(benzylamino)-4,4,4-trifluorobutan-2-ol
PubChem CID42614690
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name1-(benzylamino)-4,4,4-trifluorobutan-2-ol
SMILESOC(CNCc1ccccc1)CC(F)(F)F
InChIInChI=1S/C11H14F3NO/c12-11(13,14)6-10(16)8-15-7-9-4-2-1-3-5-9/h1-5,10,15-16H,6-8H2
InChIKeyFIPYXVWKZLCGAE-UHFFFAOYSA-N
XLogP2.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(benzylamino)-4,4,4-trifluorobutan-2-ol?
The IUPAC name of 1-(benzylamino)-4,4,4-trifluorobutan-2-ol (CID 42614690) is 1-(benzylamino)-4,4,4-trifluorobutan-2-ol.
What is the SMILES notation for 1-(benzylamino)-4,4,4-trifluorobutan-2-ol?
The canonical SMILES for 1-(benzylamino)-4,4,4-trifluorobutan-2-ol is OC(CNCc1ccccc1)CC(F)(F)F.
What is the InChIKey of 1-(benzylamino)-4,4,4-trifluorobutan-2-ol?
The InChIKey is FIPYXVWKZLCGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c12-11(13,14)6-10(16)8-15-7-9-4-2-1-3-5-9/h1-5,10,15-16H,6-8H2.
What are the key properties of 1-(benzylamino)-4,4,4-trifluorobutan-2-ol?
1-(benzylamino)-4,4,4-trifluorobutan-2-ol has a molecular weight of 233.23 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzylamino)-4,4,4-trifluorobutan-2-ol is sourced from PubChem (CID 42614690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).