1,1,1-trifluoro-2-(methylaminomethyl)butan-2-ol

C6H12F3NO — CID 145152561

IUPAC1,1,1-trifluoro-2-(methylaminomethyl)butan-2-ol
SMILESCCC(O)(CNC)C(F)(F)F
InChIInChI=1S/C6H12F3NO/c1-3-5(11,4-10-2)6(7,8)9/h10-11H,3-4H2,1-2H3
InChIKeyPKZBSOPXOUQTHQ-UHFFFAOYSA-N
MW171.16 g/mol
LogP0.91
Rot. Bonds3

About 1,1,1-trifluoro-2-(methylaminomethyl)butan-2-ol

1,1,1-trifluoro-2-(methylaminomethyl)butan-2-ol (PubChem CID 145152561) has the molecular formula C6H12F3NO and a molecular weight of 171.16 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(methylaminomethyl)butan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(methylaminomethyl)butan-2-ol
PubChem CID145152561
Molecular FormulaC6H12F3NO
Molecular Weight171.16 g/mol
Exact Mass171.09
IUPAC Name1,1,1-trifluoro-2-(methylaminomethyl)butan-2-ol
SMILESCCC(O)(CNC)C(F)(F)F
InChIInChI=1S/C6H12F3NO/c1-3-5(11,4-10-2)6(7,8)9/h10-11H,3-4H2,1-2H3
InChIKeyPKZBSOPXOUQTHQ-UHFFFAOYSA-N
XLogP0.91
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(methylaminomethyl)butan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-(methylaminomethyl)butan-2-ol (CID 145152561) is 1,1,1-trifluoro-2-(methylaminomethyl)butan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-(methylaminomethyl)butan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-(methylaminomethyl)butan-2-ol is CCC(O)(CNC)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(methylaminomethyl)butan-2-ol?
The InChIKey is PKZBSOPXOUQTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NO/c1-3-5(11,4-10-2)6(7,8)9/h10-11H,3-4H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-2-(methylaminomethyl)butan-2-ol?
1,1,1-trifluoro-2-(methylaminomethyl)butan-2-ol has a molecular weight of 171.16 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(methylaminomethyl)butan-2-ol is sourced from PubChem (CID 145152561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).