(2R)-1,1,1-trifluoro-3-(2-methylpropylamino)propan-2-ol

C7H14F3NO — CID 166556395

IUPAC(2R)-1,1,1-trifluoro-3-(2-methylpropylamino)propan-2-ol
SMILESCC(C)CNC[C@@H](O)C(F)(F)F
InChIInChI=1S/C7H14F3NO/c1-5(2)3-11-4-6(12)7(8,9)10/h5-6,11-12H,3-4H2,1-2H3/t6-/m1/s1
InChIKeyAYJXTGZIUNNFMB-ZCFIWIBFSA-N
MW185.19 g/mol
LogP1.16
Rot. Bonds4

About (2R)-1,1,1-trifluoro-3-(2-methylpropylamino)propan-2-ol

(2R)-1,1,1-trifluoro-3-(2-methylpropylamino)propan-2-ol (PubChem CID 166556395) has the molecular formula C7H14F3NO and a molecular weight of 185.19 g/mol. Its IUPAC name is (2R)-1,1,1-trifluoro-3-(2-methylpropylamino)propan-2-ol.

Molecular Properties

Compound Name(2R)-1,1,1-trifluoro-3-(2-methylpropylamino)propan-2-ol
PubChem CID166556395
Molecular FormulaC7H14F3NO
Molecular Weight185.19 g/mol
Exact Mass185.10
IUPAC Name(2R)-1,1,1-trifluoro-3-(2-methylpropylamino)propan-2-ol
SMILESCC(C)CNC[C@@H](O)C(F)(F)F
InChIInChI=1S/C7H14F3NO/c1-5(2)3-11-4-6(12)7(8,9)10/h5-6,11-12H,3-4H2,1-2H3/t6-/m1/s1
InChIKeyAYJXTGZIUNNFMB-ZCFIWIBFSA-N
XLogP1.16
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1,1,1-trifluoro-3-(2-methylpropylamino)propan-2-ol?
The IUPAC name of (2R)-1,1,1-trifluoro-3-(2-methylpropylamino)propan-2-ol (CID 166556395) is (2R)-1,1,1-trifluoro-3-(2-methylpropylamino)propan-2-ol.
What is the SMILES notation for (2R)-1,1,1-trifluoro-3-(2-methylpropylamino)propan-2-ol?
The canonical SMILES for (2R)-1,1,1-trifluoro-3-(2-methylpropylamino)propan-2-ol is CC(C)CNC[C@@H](O)C(F)(F)F.
What is the InChIKey of (2R)-1,1,1-trifluoro-3-(2-methylpropylamino)propan-2-ol?
The InChIKey is AYJXTGZIUNNFMB-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H14F3NO/c1-5(2)3-11-4-6(12)7(8,9)10/h5-6,11-12H,3-4H2,1-2H3/t6-/m1/s1.
What are the key properties of (2R)-1,1,1-trifluoro-3-(2-methylpropylamino)propan-2-ol?
(2R)-1,1,1-trifluoro-3-(2-methylpropylamino)propan-2-ol has a molecular weight of 185.19 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,1,1-trifluoro-3-(2-methylpropylamino)propan-2-ol is sourced from PubChem (CID 166556395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).