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

C11H12F5NO — CID 71663329

IUPAC(2S,3R,4R)-4-amino-1,1,1,3-tetrafluoro-4-(2-fluorophenyl)pentan-2-ol
SMILESC[C@@](N)(c1ccccc1F)[C@@H](F)[C@H](O)C(F)(F)F
InChIInChI=1S/C11H12F5NO/c1-10(17,6-4-2-3-5-7(6)12)8(13)9(18)11(14,15)16/h2-5,8-9,18H,17H2,1H3/t8-,9-,10+/m0/s1
InChIKeyVTVBQNYESQGTTR-LPEHRKFASA-N
MW269.21 g/mol
LogP2.26
Rot. Bonds3

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

(2S,3R,4R)-4-amino-1,1,1,3-tetrafluoro-4-(2-fluorophenyl)pentan-2-ol (PubChem CID 71663329) has the molecular formula C11H12F5NO and a molecular weight of 269.21 g/mol. Its IUPAC name is (2S,3R,4R)-4-amino-1,1,1,3-tetrafluoro-4-(2-fluorophenyl)pentan-2-ol.

Molecular Properties

Compound Name(2S,3R,4R)-4-amino-1,1,1,3-tetrafluoro-4-(2-fluorophenyl)pentan-2-ol
PubChem CID71663329
Molecular FormulaC11H12F5NO
Molecular Weight269.21 g/mol
Exact Mass269.08
IUPAC Name(2S,3R,4R)-4-amino-1,1,1,3-tetrafluoro-4-(2-fluorophenyl)pentan-2-ol
SMILESC[C@@](N)(c1ccccc1F)[C@@H](F)[C@H](O)C(F)(F)F
InChIInChI=1S/C11H12F5NO/c1-10(17,6-4-2-3-5-7(6)12)8(13)9(18)11(14,15)16/h2-5,8-9,18H,17H2,1H3/t8-,9-,10+/m0/s1
InChIKeyVTVBQNYESQGTTR-LPEHRKFASA-N
XLogP2.26
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.21
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R)-4-amino-1,1,1,3-tetrafluoro-4-(2-fluorophenyl)pentan-2-ol?
The IUPAC name of (2S,3R,4R)-4-amino-1,1,1,3-tetrafluoro-4-(2-fluorophenyl)pentan-2-ol (CID 71663329) is (2S,3R,4R)-4-amino-1,1,1,3-tetrafluoro-4-(2-fluorophenyl)pentan-2-ol.
What is the SMILES notation for (2S,3R,4R)-4-amino-1,1,1,3-tetrafluoro-4-(2-fluorophenyl)pentan-2-ol?
The canonical SMILES for (2S,3R,4R)-4-amino-1,1,1,3-tetrafluoro-4-(2-fluorophenyl)pentan-2-ol is C[C@@](N)(c1ccccc1F)[C@@H](F)[C@H](O)C(F)(F)F.
What is the InChIKey of (2S,3R,4R)-4-amino-1,1,1,3-tetrafluoro-4-(2-fluorophenyl)pentan-2-ol?
The InChIKey is VTVBQNYESQGTTR-LPEHRKFASA-N. The full InChI is InChI=1S/C11H12F5NO/c1-10(17,6-4-2-3-5-7(6)12)8(13)9(18)11(14,15)16/h2-5,8-9,18H,17H2,1H3/t8-,9-,10+/m0/s1.
What are the key properties of (2S,3R,4R)-4-amino-1,1,1,3-tetrafluoro-4-(2-fluorophenyl)pentan-2-ol?
(2S,3R,4R)-4-amino-1,1,1,3-tetrafluoro-4-(2-fluorophenyl)pentan-2-ol has a molecular weight of 269.21 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R)-4-amino-1,1,1,3-tetrafluoro-4-(2-fluorophenyl)pentan-2-ol is sourced from PubChem (CID 71663329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).