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

C5H9F4NO — CID 90134626

IUPAC(3R)-4-amino-1,1,1,3-tetrafluoro-2-methylbutan-2-ol
SMILESCC(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-SYPWQXSBSA-N
MW175.12 g/mol
LogP0.60
Rot. Bonds2

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

(3R)-4-amino-1,1,1,3-tetrafluoro-2-methylbutan-2-ol (PubChem CID 90134626) has the molecular formula C5H9F4NO and a molecular weight of 175.12 g/mol. Its IUPAC name is (3R)-4-amino-1,1,1,3-tetrafluoro-2-methylbutan-2-ol.

Molecular Properties

Compound Name(3R)-4-amino-1,1,1,3-tetrafluoro-2-methylbutan-2-ol
PubChem CID90134626
Molecular FormulaC5H9F4NO
Molecular Weight175.12 g/mol
Exact Mass175.06
IUPAC Name(3R)-4-amino-1,1,1,3-tetrafluoro-2-methylbutan-2-ol
SMILESCC(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-SYPWQXSBSA-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 (3R)-4-amino-1,1,1,3-tetrafluoro-2-methylbutan-2-ol?
The IUPAC name of (3R)-4-amino-1,1,1,3-tetrafluoro-2-methylbutan-2-ol (CID 90134626) is (3R)-4-amino-1,1,1,3-tetrafluoro-2-methylbutan-2-ol.
What is the SMILES notation for (3R)-4-amino-1,1,1,3-tetrafluoro-2-methylbutan-2-ol?
The canonical SMILES for (3R)-4-amino-1,1,1,3-tetrafluoro-2-methylbutan-2-ol is CC(O)([C@H](F)CN)C(F)(F)F.
What is the InChIKey of (3R)-4-amino-1,1,1,3-tetrafluoro-2-methylbutan-2-ol?
The InChIKey is QETFIAHGCMJVMS-SYPWQXSBSA-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 (3R)-4-amino-1,1,1,3-tetrafluoro-2-methylbutan-2-ol?
(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 (3R)-4-amino-1,1,1,3-tetrafluoro-2-methylbutan-2-ol is sourced from PubChem (CID 90134626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).