(2S)-2-amino-5,5,5-trifluoro-3-(2,2,2-trifluoroethyl)pentan-1-ol

C7H11F6NO — CID 86594496

IUPAC(2S)-2-amino-5,5,5-trifluoro-3-(2,2,2-trifluoroethyl)pentan-1-ol
SMILESN[C@H](CO)C(CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C7H11F6NO/c8-6(9,10)1-4(5(14)3-15)2-7(11,12)13/h4-5,15H,1-3,14H2/t5-/m1/s1
InChIKeyRFNHFKPCKXOFCR-RXMQYKEDSA-N
MW239.16 g/mol
LogP1.83
Rot. Bonds4

About (2S)-2-amino-5,5,5-trifluoro-3-(2,2,2-trifluoroethyl)pentan-1-ol

(2S)-2-amino-5,5,5-trifluoro-3-(2,2,2-trifluoroethyl)pentan-1-ol (PubChem CID 86594496) has the molecular formula C7H11F6NO and a molecular weight of 239.16 g/mol. Its IUPAC name is (2S)-2-amino-5,5,5-trifluoro-3-(2,2,2-trifluoroethyl)pentan-1-ol.

Molecular Properties

Compound Name(2S)-2-amino-5,5,5-trifluoro-3-(2,2,2-trifluoroethyl)pentan-1-ol
PubChem CID86594496
Molecular FormulaC7H11F6NO
Molecular Weight239.16 g/mol
Exact Mass239.07
IUPAC Name(2S)-2-amino-5,5,5-trifluoro-3-(2,2,2-trifluoroethyl)pentan-1-ol
SMILESN[C@H](CO)C(CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C7H11F6NO/c8-6(9,10)1-4(5(14)3-15)2-7(11,12)13/h4-5,15H,1-3,14H2/t5-/m1/s1
InChIKeyRFNHFKPCKXOFCR-RXMQYKEDSA-N
XLogP1.83
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.16
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5,5,5-trifluoro-3-(2,2,2-trifluoroethyl)pentan-1-ol?
The IUPAC name of (2S)-2-amino-5,5,5-trifluoro-3-(2,2,2-trifluoroethyl)pentan-1-ol (CID 86594496) is (2S)-2-amino-5,5,5-trifluoro-3-(2,2,2-trifluoroethyl)pentan-1-ol.
What is the SMILES notation for (2S)-2-amino-5,5,5-trifluoro-3-(2,2,2-trifluoroethyl)pentan-1-ol?
The canonical SMILES for (2S)-2-amino-5,5,5-trifluoro-3-(2,2,2-trifluoroethyl)pentan-1-ol is N[C@H](CO)C(CC(F)(F)F)CC(F)(F)F.
What is the InChIKey of (2S)-2-amino-5,5,5-trifluoro-3-(2,2,2-trifluoroethyl)pentan-1-ol?
The InChIKey is RFNHFKPCKXOFCR-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H11F6NO/c8-6(9,10)1-4(5(14)3-15)2-7(11,12)13/h4-5,15H,1-3,14H2/t5-/m1/s1.
What are the key properties of (2S)-2-amino-5,5,5-trifluoro-3-(2,2,2-trifluoroethyl)pentan-1-ol?
(2S)-2-amino-5,5,5-trifluoro-3-(2,2,2-trifluoroethyl)pentan-1-ol has a molecular weight of 239.16 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5,5,5-trifluoro-3-(2,2,2-trifluoroethyl)pentan-1-ol is sourced from PubChem (CID 86594496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).