(2R,4S)-4-amino-1,1,1-trifluoro-4-(2-fluorophenyl)pentan-2-ol

C11H13F4NO — CID 71663328

IUPAC(2R,4S)-4-amino-1,1,1-trifluoro-4-(2-fluorophenyl)pentan-2-ol
SMILESC[C@](N)(C[C@@H](O)C(F)(F)F)c1ccccc1F
InChIInChI=1S/C11H13F4NO/c1-10(16,6-9(17)11(13,14)15)7-4-2-3-5-8(7)12/h2-5,9,17H,6,16H2,1H3/t9-,10+/m1/s1
InChIKeyGCYYXYSQJMNMPB-ZJUUUORDSA-N
MW251.22 g/mol
LogP2.31
Rot. Bonds3

About (2R,4S)-4-amino-1,1,1-trifluoro-4-(2-fluorophenyl)pentan-2-ol

(2R,4S)-4-amino-1,1,1-trifluoro-4-(2-fluorophenyl)pentan-2-ol (PubChem CID 71663328) has the molecular formula C11H13F4NO and a molecular weight of 251.22 g/mol. Its IUPAC name is (2R,4S)-4-amino-1,1,1-trifluoro-4-(2-fluorophenyl)pentan-2-ol.

Molecular Properties

Compound Name(2R,4S)-4-amino-1,1,1-trifluoro-4-(2-fluorophenyl)pentan-2-ol
PubChem CID71663328
Molecular FormulaC11H13F4NO
Molecular Weight251.22 g/mol
Exact Mass251.09
IUPAC Name(2R,4S)-4-amino-1,1,1-trifluoro-4-(2-fluorophenyl)pentan-2-ol
SMILESC[C@](N)(C[C@@H](O)C(F)(F)F)c1ccccc1F
InChIInChI=1S/C11H13F4NO/c1-10(16,6-9(17)11(13,14)15)7-4-2-3-5-8(7)12/h2-5,9,17H,6,16H2,1H3/t9-,10+/m1/s1
InChIKeyGCYYXYSQJMNMPB-ZJUUUORDSA-N
XLogP2.31
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.22
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-amino-1,1,1-trifluoro-4-(2-fluorophenyl)pentan-2-ol?
The IUPAC name of (2R,4S)-4-amino-1,1,1-trifluoro-4-(2-fluorophenyl)pentan-2-ol (CID 71663328) is (2R,4S)-4-amino-1,1,1-trifluoro-4-(2-fluorophenyl)pentan-2-ol.
What is the SMILES notation for (2R,4S)-4-amino-1,1,1-trifluoro-4-(2-fluorophenyl)pentan-2-ol?
The canonical SMILES for (2R,4S)-4-amino-1,1,1-trifluoro-4-(2-fluorophenyl)pentan-2-ol is C[C@](N)(C[C@@H](O)C(F)(F)F)c1ccccc1F.
What is the InChIKey of (2R,4S)-4-amino-1,1,1-trifluoro-4-(2-fluorophenyl)pentan-2-ol?
The InChIKey is GCYYXYSQJMNMPB-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H13F4NO/c1-10(16,6-9(17)11(13,14)15)7-4-2-3-5-8(7)12/h2-5,9,17H,6,16H2,1H3/t9-,10+/m1/s1.
What are the key properties of (2R,4S)-4-amino-1,1,1-trifluoro-4-(2-fluorophenyl)pentan-2-ol?
(2R,4S)-4-amino-1,1,1-trifluoro-4-(2-fluorophenyl)pentan-2-ol has a molecular weight of 251.22 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-amino-1,1,1-trifluoro-4-(2-fluorophenyl)pentan-2-ol is sourced from PubChem (CID 71663328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).