(2R,3S)-3-amino-1,1,1-trifluoro-4-methylpentan-2-ol

C6H12F3NO — CID 10559088

IUPAC(2R,3S)-3-amino-1,1,1-trifluoro-4-methylpentan-2-ol
SMILESCC(C)[C@H](N)[C@@H](O)C(F)(F)F
InChIInChI=1S/C6H12F3NO/c1-3(2)4(10)5(11)6(7,8)9/h3-5,11H,10H2,1-2H3/t4-,5+/m0/s1
InChIKeyCXXBVHOIDJALEU-CRCLSJGQSA-N
MW171.16 g/mol
LogP0.89
Rot. Bonds2

About (2R,3S)-3-amino-1,1,1-trifluoro-4-methylpentan-2-ol

(2R,3S)-3-amino-1,1,1-trifluoro-4-methylpentan-2-ol (PubChem CID 10559088) has the molecular formula C6H12F3NO and a molecular weight of 171.16 g/mol. Its IUPAC name is (2R,3S)-3-amino-1,1,1-trifluoro-4-methylpentan-2-ol.

Molecular Properties

Compound Name(2R,3S)-3-amino-1,1,1-trifluoro-4-methylpentan-2-ol
PubChem CID10559088
Molecular FormulaC6H12F3NO
Molecular Weight171.16 g/mol
Exact Mass171.09
IUPAC Name(2R,3S)-3-amino-1,1,1-trifluoro-4-methylpentan-2-ol
SMILESCC(C)[C@H](N)[C@@H](O)C(F)(F)F
InChIInChI=1S/C6H12F3NO/c1-3(2)4(10)5(11)6(7,8)9/h3-5,11H,10H2,1-2H3/t4-,5+/m0/s1
InChIKeyCXXBVHOIDJALEU-CRCLSJGQSA-N
XLogP0.89
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-amino-1,1,1-trifluoro-4-methylpentan-2-ol?
The IUPAC name of (2R,3S)-3-amino-1,1,1-trifluoro-4-methylpentan-2-ol (CID 10559088) is (2R,3S)-3-amino-1,1,1-trifluoro-4-methylpentan-2-ol.
What is the SMILES notation for (2R,3S)-3-amino-1,1,1-trifluoro-4-methylpentan-2-ol?
The canonical SMILES for (2R,3S)-3-amino-1,1,1-trifluoro-4-methylpentan-2-ol is CC(C)[C@H](N)[C@@H](O)C(F)(F)F.
What is the InChIKey of (2R,3S)-3-amino-1,1,1-trifluoro-4-methylpentan-2-ol?
The InChIKey is CXXBVHOIDJALEU-CRCLSJGQSA-N. The full InChI is InChI=1S/C6H12F3NO/c1-3(2)4(10)5(11)6(7,8)9/h3-5,11H,10H2,1-2H3/t4-,5+/m0/s1.
What are the key properties of (2R,3S)-3-amino-1,1,1-trifluoro-4-methylpentan-2-ol?
(2R,3S)-3-amino-1,1,1-trifluoro-4-methylpentan-2-ol has a molecular weight of 171.16 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-amino-1,1,1-trifluoro-4-methylpentan-2-ol is sourced from PubChem (CID 10559088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).