(1R,2R)-1-amino-1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-2-ol

C10H11F4NO — CID 131320049

IUPAC(1R,2R)-1-amino-1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-2-ol
SMILESC[C@@H](O)[C@H](N)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C10H11F4NO/c1-5(16)9(15)6-2-7(10(12,13)14)4-8(11)3-6/h2-5,9,16H,15H2,1H3/t5-,9+/m1/s1
InChIKeyJZOPDSWOTXYWRK-ANLVUFKYSA-N
MW237.20 g/mol
LogP2.23
Rot. Bonds2

About (1R,2R)-1-amino-1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-2-ol

(1R,2R)-1-amino-1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-2-ol (PubChem CID 131320049) has the molecular formula C10H11F4NO and a molecular weight of 237.20 g/mol. Its IUPAC name is (1R,2R)-1-amino-1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name(1R,2R)-1-amino-1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-2-ol
PubChem CID131320049
Molecular FormulaC10H11F4NO
Molecular Weight237.20 g/mol
Exact Mass237.08
IUPAC Name(1R,2R)-1-amino-1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-2-ol
SMILESC[C@@H](O)[C@H](N)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C10H11F4NO/c1-5(16)9(15)6-2-7(10(12,13)14)4-8(11)3-6/h2-5,9,16H,15H2,1H3/t5-,9+/m1/s1
InChIKeyJZOPDSWOTXYWRK-ANLVUFKYSA-N
XLogP2.23
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.20
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-1-[3,5-bis(trifluoromethyl)phenyl]propan-2-ol
CID 138108892
(1S,2R)-1-amino-1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-methylbutan-2-ol;hydrochloride
CID 171268937
(1R,2S)-1-amino-1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-methylbutan-2-ol;hydrochloride
CID 171263263
(1S,2R)-1-amino-1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-methylpentan-2-ol
CID 171268942
1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanamine
CID 18543066
(1S,2R)-1-amino-1-[3-chloro-5-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
CID 171271401
(1S,2S)-1-amino-1-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 129052960
(1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride
CID 171242162
(1S,2R)-1-amino-1-(3-fluoro-5-iodophenyl)propan-2-ol
CID 131150416
(1R,2S)-1-amino-1-(3-chloro-5-fluorophenyl)propan-2-ol
CID 130683102
(1R,2S)-1-amino-1-(3-bromo-5-fluorophenyl)propan-2-ol
CID 130982390
(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethane-1,2-diol
CID 175586599

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-amino-1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-2-ol?
The IUPAC name of (1R,2R)-1-amino-1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-2-ol (CID 131320049) is (1R,2R)-1-amino-1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-2-ol.
What is the SMILES notation for (1R,2R)-1-amino-1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-2-ol?
The canonical SMILES for (1R,2R)-1-amino-1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-2-ol is C[C@@H](O)[C@H](N)c1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of (1R,2R)-1-amino-1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-2-ol?
The InChIKey is JZOPDSWOTXYWRK-ANLVUFKYSA-N. The full InChI is InChI=1S/C10H11F4NO/c1-5(16)9(15)6-2-7(10(12,13)14)4-8(11)3-6/h2-5,9,16H,15H2,1H3/t5-,9+/m1/s1.
What are the key properties of (1R,2R)-1-amino-1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-2-ol?
(1R,2R)-1-amino-1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-2-ol has a molecular weight of 237.20 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-amino-1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-2-ol is sourced from PubChem (CID 131320049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).