1,1,1-trifluoro-3-(2-methylbutylamino)propan-2-ol

C8H16F3NO — CID 63901077

IUPAC1,1,1-trifluoro-3-(2-methylbutylamino)propan-2-ol
SMILESCCC(C)CNCC(O)C(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-3-6(2)4-12-5-7(13)8(9,10)11/h6-7,12-13H,3-5H2,1-2H3
InChIKeyUEECMLJVMFXYID-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.55
Rot. Bonds5

About 1,1,1-trifluoro-3-(2-methylbutylamino)propan-2-ol

1,1,1-trifluoro-3-(2-methylbutylamino)propan-2-ol (PubChem CID 63901077) has the molecular formula C8H16F3NO and a molecular weight of 199.22 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(2-methylbutylamino)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(2-methylbutylamino)propan-2-ol
PubChem CID63901077
Molecular FormulaC8H16F3NO
Molecular Weight199.22 g/mol
Exact Mass199.12
IUPAC Name1,1,1-trifluoro-3-(2-methylbutylamino)propan-2-ol
SMILESCCC(C)CNCC(O)C(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-3-6(2)4-12-5-7(13)8(9,10)11/h6-7,12-13H,3-5H2,1-2H3
InChIKeyUEECMLJVMFXYID-UHFFFAOYSA-N
XLogP1.55
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.55
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-3-(2-methylbutylamino)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-(2-methylbutylamino)propan-2-ol (CID 63901077) is 1,1,1-trifluoro-3-(2-methylbutylamino)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-(2-methylbutylamino)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-(2-methylbutylamino)propan-2-ol is CCC(C)CNCC(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(2-methylbutylamino)propan-2-ol?
The InChIKey is UEECMLJVMFXYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO/c1-3-6(2)4-12-5-7(13)8(9,10)11/h6-7,12-13H,3-5H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-3-(2-methylbutylamino)propan-2-ol?
1,1,1-trifluoro-3-(2-methylbutylamino)propan-2-ol has a molecular weight of 199.22 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(2-methylbutylamino)propan-2-ol is sourced from PubChem (CID 63901077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).