(2S)-2-amino-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanol

C10H11F4NO2 — CID 66515284

IUPAC(2S)-2-amino-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanol
SMILESN[C@H](CO)c1ccc(OC(F)(F)C(F)F)cc1
InChIInChI=1S/C10H11F4NO2/c11-9(12)10(13,14)17-7-3-1-6(2-4-7)8(15)5-16/h1-4,8-9,16H,5,15H2/t8-/m1/s1
InChIKeyNBCNJLQKUHPMQL-MRVPVSSYSA-N
MW253.20 g/mol
LogP1.92
Rot. Bonds5

About (2S)-2-amino-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanol

(2S)-2-amino-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanol (PubChem CID 66515284) has the molecular formula C10H11F4NO2 and a molecular weight of 253.20 g/mol. Its IUPAC name is (2S)-2-amino-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanol
PubChem CID66515284
Molecular FormulaC10H11F4NO2
Molecular Weight253.20 g/mol
Exact Mass253.07
IUPAC Name(2S)-2-amino-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanol
SMILESN[C@H](CO)c1ccc(OC(F)(F)C(F)F)cc1
InChIInChI=1S/C10H11F4NO2/c11-9(12)10(13,14)17-7-3-1-6(2-4-7)8(15)5-16/h1-4,8-9,16H,5,15H2/t8-/m1/s1
InChIKeyNBCNJLQKUHPMQL-MRVPVSSYSA-N
XLogP1.92
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.20
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanol
CID 66515285
(2S)-2-amino-2-[4-(trifluoromethoxy)phenyl]ethanol;hydrochloride
CID 86712019
(1R)-2-fluoro-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanamine;hydrochloride
CID 171228229
(1S)-3-fluoro-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-amine;hydrochloride
CID 171228261
(3S)-3-amino-2,2-dimethyl-3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-ol
CID 171249265
(1S)-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]butan-1-amine
CID 171228244
(3S)-3-amino-2,2-dimethyl-3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-ol;hydrochloride
CID 171249266
(1S)-3-methyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]but-3-en-1-amine;hydrochloride
CID 171228277
(1S)-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]butane-1,4-diamine;hydrochloride
CID 171228235
(1S)-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pentan-1-amine
CID 171228248
1-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]ethane-1,2-diamine
CID 170894654
methyl (2R)-2-amino-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]acetate
CID 171228282

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanol?
The IUPAC name of (2S)-2-amino-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanol (CID 66515284) is (2S)-2-amino-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanol.
What is the SMILES notation for (2S)-2-amino-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanol?
The canonical SMILES for (2S)-2-amino-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanol is N[C@H](CO)c1ccc(OC(F)(F)C(F)F)cc1.
What is the InChIKey of (2S)-2-amino-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanol?
The InChIKey is NBCNJLQKUHPMQL-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H11F4NO2/c11-9(12)10(13,14)17-7-3-1-6(2-4-7)8(15)5-16/h1-4,8-9,16H,5,15H2/t8-/m1/s1.
What are the key properties of (2S)-2-amino-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanol?
(2S)-2-amino-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanol has a molecular weight of 253.20 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanol is sourced from PubChem (CID 66515284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).