(2R,4R)-4-amino-1,1,1,5-tetrafluoro-4-(2-fluorophenyl)-2-methylpentan-2-ol

C12H14F5NO — CID 90303142

IUPAC(2R,4R)-4-amino-1,1,1,5-tetrafluoro-4-(2-fluorophenyl)-2-methylpentan-2-ol
SMILESC[C@@](O)(C[C@](N)(CF)c1ccccc1F)C(F)(F)F
InChIInChI=1S/C12H14F5NO/c1-10(19,12(15,16)17)6-11(18,7-13)8-4-2-3-5-9(8)14/h2-5,19H,6-7,18H2,1H3/t10-,11+/m1/s1
InChIKeyPSOSNGIPCJKNOJ-MNOVXSKESA-N
MW283.24 g/mol
LogP2.65
Rot. Bonds4

About (2R,4R)-4-amino-1,1,1,5-tetrafluoro-4-(2-fluorophenyl)-2-methylpentan-2-ol

(2R,4R)-4-amino-1,1,1,5-tetrafluoro-4-(2-fluorophenyl)-2-methylpentan-2-ol (PubChem CID 90303142) has the molecular formula C12H14F5NO and a molecular weight of 283.24 g/mol. Its IUPAC name is (2R,4R)-4-amino-1,1,1,5-tetrafluoro-4-(2-fluorophenyl)-2-methylpentan-2-ol.

Molecular Properties

Compound Name(2R,4R)-4-amino-1,1,1,5-tetrafluoro-4-(2-fluorophenyl)-2-methylpentan-2-ol
PubChem CID90303142
Molecular FormulaC12H14F5NO
Molecular Weight283.24 g/mol
Exact Mass283.10
IUPAC Name(2R,4R)-4-amino-1,1,1,5-tetrafluoro-4-(2-fluorophenyl)-2-methylpentan-2-ol
SMILESC[C@@](O)(C[C@](N)(CF)c1ccccc1F)C(F)(F)F
InChIInChI=1S/C12H14F5NO/c1-10(19,12(15,16)17)6-11(18,7-13)8-4-2-3-5-9(8)14/h2-5,19H,6-7,18H2,1H3/t10-,11+/m1/s1
InChIKeyPSOSNGIPCJKNOJ-MNOVXSKESA-N
XLogP2.65
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.24
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-amino-1,1,1,5-tetrafluoro-4-(2-fluorophenyl)-2-methylpentan-2-ol?
The IUPAC name of (2R,4R)-4-amino-1,1,1,5-tetrafluoro-4-(2-fluorophenyl)-2-methylpentan-2-ol (CID 90303142) is (2R,4R)-4-amino-1,1,1,5-tetrafluoro-4-(2-fluorophenyl)-2-methylpentan-2-ol.
What is the SMILES notation for (2R,4R)-4-amino-1,1,1,5-tetrafluoro-4-(2-fluorophenyl)-2-methylpentan-2-ol?
The canonical SMILES for (2R,4R)-4-amino-1,1,1,5-tetrafluoro-4-(2-fluorophenyl)-2-methylpentan-2-ol is C[C@@](O)(C[C@](N)(CF)c1ccccc1F)C(F)(F)F.
What is the InChIKey of (2R,4R)-4-amino-1,1,1,5-tetrafluoro-4-(2-fluorophenyl)-2-methylpentan-2-ol?
The InChIKey is PSOSNGIPCJKNOJ-MNOVXSKESA-N. The full InChI is InChI=1S/C12H14F5NO/c1-10(19,12(15,16)17)6-11(18,7-13)8-4-2-3-5-9(8)14/h2-5,19H,6-7,18H2,1H3/t10-,11+/m1/s1.
What are the key properties of (2R,4R)-4-amino-1,1,1,5-tetrafluoro-4-(2-fluorophenyl)-2-methylpentan-2-ol?
(2R,4R)-4-amino-1,1,1,5-tetrafluoro-4-(2-fluorophenyl)-2-methylpentan-2-ol has a molecular weight of 283.24 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-amino-1,1,1,5-tetrafluoro-4-(2-fluorophenyl)-2-methylpentan-2-ol is sourced from PubChem (CID 90303142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).