(2R,3R)-3-amino-4,4,4-trifluorobutan-2-ol

C4H8F3NO — CID 122236482

IUPAC(2R,3R)-3-amino-4,4,4-trifluorobutan-2-ol
SMILESC[C@@H](O)[C@@H](N)C(F)(F)F
InChIInChI=1S/C4H8F3NO/c1-2(9)3(8)4(5,6)7/h2-3,9H,8H2,1H3/t2-,3-/m1/s1
InChIKeyMAINWOGXJHYRLE-PWNYCUMCSA-N
MW143.11 g/mol
LogP0.26
Rot. Bonds1

About (2R,3R)-3-amino-4,4,4-trifluorobutan-2-ol

(2R,3R)-3-amino-4,4,4-trifluorobutan-2-ol (PubChem CID 122236482) has the molecular formula C4H8F3NO and a molecular weight of 143.11 g/mol. Its IUPAC name is (2R,3R)-3-amino-4,4,4-trifluorobutan-2-ol.

Molecular Properties

Compound Name(2R,3R)-3-amino-4,4,4-trifluorobutan-2-ol
PubChem CID122236482
Molecular FormulaC4H8F3NO
Molecular Weight143.11 g/mol
Exact Mass143.06
IUPAC Name(2R,3R)-3-amino-4,4,4-trifluorobutan-2-ol
SMILESC[C@@H](O)[C@@H](N)C(F)(F)F
InChIInChI=1S/C4H8F3NO/c1-2(9)3(8)4(5,6)7/h2-3,9H,8H2,1H3/t2-,3-/m1/s1
InChIKeyMAINWOGXJHYRLE-PWNYCUMCSA-N
XLogP0.26
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.11
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-amino-4,4,4-trifluorobutan-2-ol?
The IUPAC name of (2R,3R)-3-amino-4,4,4-trifluorobutan-2-ol (CID 122236482) is (2R,3R)-3-amino-4,4,4-trifluorobutan-2-ol.
What is the SMILES notation for (2R,3R)-3-amino-4,4,4-trifluorobutan-2-ol?
The canonical SMILES for (2R,3R)-3-amino-4,4,4-trifluorobutan-2-ol is C[C@@H](O)[C@@H](N)C(F)(F)F.
What is the InChIKey of (2R,3R)-3-amino-4,4,4-trifluorobutan-2-ol?
The InChIKey is MAINWOGXJHYRLE-PWNYCUMCSA-N. The full InChI is InChI=1S/C4H8F3NO/c1-2(9)3(8)4(5,6)7/h2-3,9H,8H2,1H3/t2-,3-/m1/s1.
What are the key properties of (2R,3R)-3-amino-4,4,4-trifluorobutan-2-ol?
(2R,3R)-3-amino-4,4,4-trifluorobutan-2-ol has a molecular weight of 143.11 g/mol, XLogP of 0.26, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-amino-4,4,4-trifluorobutan-2-ol is sourced from PubChem (CID 122236482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).