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

C6H12F3NO — CID 82534636

IUPAC1-(dimethylamino)-4,4,4-trifluorobutan-2-ol
SMILESCN(C)CC(O)CC(F)(F)F
InChIInChI=1S/C6H12F3NO/c1-10(2)4-5(11)3-6(7,8)9/h5,11H,3-4H2,1-2H3
InChIKeyNMYAUNAJYIEEFZ-UHFFFAOYSA-N
MW171.16 g/mol
LogP0.86
Rot. Bonds3

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

1-(dimethylamino)-4,4,4-trifluorobutan-2-ol (PubChem CID 82534636) has the molecular formula C6H12F3NO and a molecular weight of 171.16 g/mol. Its IUPAC name is 1-(dimethylamino)-4,4,4-trifluorobutan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-4,4,4-trifluorobutan-2-ol
PubChem CID82534636
Molecular FormulaC6H12F3NO
Molecular Weight171.16 g/mol
Exact Mass171.09
IUPAC Name1-(dimethylamino)-4,4,4-trifluorobutan-2-ol
SMILESCN(C)CC(O)CC(F)(F)F
InChIInChI=1S/C6H12F3NO/c1-10(2)4-5(11)3-6(7,8)9/h5,11H,3-4H2,1-2H3
InChIKeyNMYAUNAJYIEEFZ-UHFFFAOYSA-N
XLogP0.86
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-4,4,4-trifluorobutan-2-ol?
The IUPAC name of 1-(dimethylamino)-4,4,4-trifluorobutan-2-ol (CID 82534636) is 1-(dimethylamino)-4,4,4-trifluorobutan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-4,4,4-trifluorobutan-2-ol?
The canonical SMILES for 1-(dimethylamino)-4,4,4-trifluorobutan-2-ol is CN(C)CC(O)CC(F)(F)F.
What is the InChIKey of 1-(dimethylamino)-4,4,4-trifluorobutan-2-ol?
The InChIKey is NMYAUNAJYIEEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NO/c1-10(2)4-5(11)3-6(7,8)9/h5,11H,3-4H2,1-2H3.
What are the key properties of 1-(dimethylamino)-4,4,4-trifluorobutan-2-ol?
1-(dimethylamino)-4,4,4-trifluorobutan-2-ol has a molecular weight of 171.16 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-4,4,4-trifluorobutan-2-ol is sourced from PubChem (CID 82534636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).