(2S,3R)-4-amino-1,1,1,3-tetrafluoro-2-methylbutan-2-ol

C5H9F4NO — CID 129392004

IUPAC(2S,3R)-4-amino-1,1,1,3-tetrafluoro-2-methylbutan-2-ol
SMILESC[C@](O)([C@H](F)CN)C(F)(F)F
InChIInChI=1S/C5H9F4NO/c1-4(11,3(6)2-10)5(7,8)9/h3,11H,2,10H2,1H3/t3-,4+/m1/s1
InChIKeyQETFIAHGCMJVMS-DMTCNVIQSA-N
MW175.12 g/mol
LogP0.60
Rot. Bonds2

About (2S,3R)-4-amino-1,1,1,3-tetrafluoro-2-methylbutan-2-ol

(2S,3R)-4-amino-1,1,1,3-tetrafluoro-2-methylbutan-2-ol (PubChem CID 129392004) has the molecular formula C5H9F4NO and a molecular weight of 175.12 g/mol. Its IUPAC name is (2S,3R)-4-amino-1,1,1,3-tetrafluoro-2-methylbutan-2-ol.

Molecular Properties

Compound Name(2S,3R)-4-amino-1,1,1,3-tetrafluoro-2-methylbutan-2-ol
PubChem CID129392004
Molecular FormulaC5H9F4NO
Molecular Weight175.12 g/mol
Exact Mass175.06
IUPAC Name(2S,3R)-4-amino-1,1,1,3-tetrafluoro-2-methylbutan-2-ol
SMILESC[C@](O)([C@H](F)CN)C(F)(F)F
InChIInChI=1S/C5H9F4NO/c1-4(11,3(6)2-10)5(7,8)9/h3,11H,2,10H2,1H3/t3-,4+/m1/s1
InChIKeyQETFIAHGCMJVMS-DMTCNVIQSA-N
XLogP0.60
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.12
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-4-amino-1,1,1,3-tetrafluoro-2-methylbutan-2-ol?
The IUPAC name of (2S,3R)-4-amino-1,1,1,3-tetrafluoro-2-methylbutan-2-ol (CID 129392004) is (2S,3R)-4-amino-1,1,1,3-tetrafluoro-2-methylbutan-2-ol.
What is the SMILES notation for (2S,3R)-4-amino-1,1,1,3-tetrafluoro-2-methylbutan-2-ol?
The canonical SMILES for (2S,3R)-4-amino-1,1,1,3-tetrafluoro-2-methylbutan-2-ol is C[C@](O)([C@H](F)CN)C(F)(F)F.
What is the InChIKey of (2S,3R)-4-amino-1,1,1,3-tetrafluoro-2-methylbutan-2-ol?
The InChIKey is QETFIAHGCMJVMS-DMTCNVIQSA-N. The full InChI is InChI=1S/C5H9F4NO/c1-4(11,3(6)2-10)5(7,8)9/h3,11H,2,10H2,1H3/t3-,4+/m1/s1.
What are the key properties of (2S,3R)-4-amino-1,1,1,3-tetrafluoro-2-methylbutan-2-ol?
(2S,3R)-4-amino-1,1,1,3-tetrafluoro-2-methylbutan-2-ol has a molecular weight of 175.12 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-4-amino-1,1,1,3-tetrafluoro-2-methylbutan-2-ol is sourced from PubChem (CID 129392004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).