3,3,3-trifluoro-2-methyl-1-[[(2R,3S)-3-methylpentan-2-yl]amino]propan-1-ol

C10H20F3NO — CID 167135036

IUPAC3,3,3-trifluoro-2-methyl-1-[[(2R,3S)-3-methylpentan-2-yl]amino]propan-1-ol
SMILESCC[C@H](C)[C@@H](C)NC(O)C(C)C(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-5-6(2)8(4)14-9(15)7(3)10(11,12)13/h6-9,14-15H,5H2,1-4H3/t6-,7?,8+,9?/m0/s1
InChIKeyRXZUBNLDWBNYPY-YRXIUSAGSA-N
MW227.27 g/mol
LogP2.53
Rot. Bonds5

About 3,3,3-trifluoro-2-methyl-1-[[(2R,3S)-3-methylpentan-2-yl]amino]propan-1-ol

3,3,3-trifluoro-2-methyl-1-[[(2R,3S)-3-methylpentan-2-yl]amino]propan-1-ol (PubChem CID 167135036) has the molecular formula C10H20F3NO and a molecular weight of 227.27 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-methyl-1-[[(2R,3S)-3-methylpentan-2-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3,3,3-trifluoro-2-methyl-1-[[(2R,3S)-3-methylpentan-2-yl]amino]propan-1-ol
PubChem CID167135036
Molecular FormulaC10H20F3NO
Molecular Weight227.27 g/mol
Exact Mass227.15
IUPAC Name3,3,3-trifluoro-2-methyl-1-[[(2R,3S)-3-methylpentan-2-yl]amino]propan-1-ol
SMILESCC[C@H](C)[C@@H](C)NC(O)C(C)C(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-5-6(2)8(4)14-9(15)7(3)10(11,12)13/h6-9,14-15H,5H2,1-4H3/t6-,7?,8+,9?/m0/s1
InChIKeyRXZUBNLDWBNYPY-YRXIUSAGSA-N
XLogP2.53
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-methyl-1-[[(2R,3S)-3-methylpentan-2-yl]amino]propan-1-ol?
The IUPAC name of 3,3,3-trifluoro-2-methyl-1-[[(2R,3S)-3-methylpentan-2-yl]amino]propan-1-ol (CID 167135036) is 3,3,3-trifluoro-2-methyl-1-[[(2R,3S)-3-methylpentan-2-yl]amino]propan-1-ol.
What is the SMILES notation for 3,3,3-trifluoro-2-methyl-1-[[(2R,3S)-3-methylpentan-2-yl]amino]propan-1-ol?
The canonical SMILES for 3,3,3-trifluoro-2-methyl-1-[[(2R,3S)-3-methylpentan-2-yl]amino]propan-1-ol is CC[C@H](C)[C@@H](C)NC(O)C(C)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-methyl-1-[[(2R,3S)-3-methylpentan-2-yl]amino]propan-1-ol?
The InChIKey is RXZUBNLDWBNYPY-YRXIUSAGSA-N. The full InChI is InChI=1S/C10H20F3NO/c1-5-6(2)8(4)14-9(15)7(3)10(11,12)13/h6-9,14-15H,5H2,1-4H3/t6-,7?,8+,9?/m0/s1.
What are the key properties of 3,3,3-trifluoro-2-methyl-1-[[(2R,3S)-3-methylpentan-2-yl]amino]propan-1-ol?
3,3,3-trifluoro-2-methyl-1-[[(2R,3S)-3-methylpentan-2-yl]amino]propan-1-ol has a molecular weight of 227.27 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-methyl-1-[[(2R,3S)-3-methylpentan-2-yl]amino]propan-1-ol is sourced from PubChem (CID 167135036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).