2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-4-(trifluoromethyl)phenol

C15H11F6NO2 — CID 171258095

IUPAC2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-4-(trifluoromethyl)phenol
SMILESN[C@H](c1ccc(OC(F)(F)F)cc1)c1cc(C(F)(F)F)ccc1O
InChIInChI=1S/C15H11F6NO2/c16-14(17,18)9-3-6-12(23)11(7-9)13(22)8-1-4-10(5-2-8)24-15(19,20)21/h1-7,13,23H,22H2/t13-/m1/s1
InChIKeyVENHGUDOUDZBTP-CYBMUJFWSA-N
MW351.25 g/mol
LogP4.36
Rot. Bonds3

About 2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-4-(trifluoromethyl)phenol

2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-4-(trifluoromethyl)phenol (PubChem CID 171258095) has the molecular formula C15H11F6NO2 and a molecular weight of 351.25 g/mol. Its IUPAC name is 2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-4-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-4-(trifluoromethyl)phenol
PubChem CID171258095
Molecular FormulaC15H11F6NO2
Molecular Weight351.25 g/mol
Exact Mass351.07
IUPAC Name2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-4-(trifluoromethyl)phenol
SMILESN[C@H](c1ccc(OC(F)(F)F)cc1)c1cc(C(F)(F)F)ccc1O
InChIInChI=1S/C15H11F6NO2/c16-14(17,18)9-3-6-12(23)11(7-9)13(22)8-1-4-10(5-2-8)24-15(19,20)21/h1-7,13,23H,22H2/t13-/m1/s1
InChIKeyVENHGUDOUDZBTP-CYBMUJFWSA-N
XLogP4.36
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.25
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

(S)-[2-bromo-5-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine
CID 171242075
(S)-[2-chloro-5-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171242871
(R)-[2-fluoro-4-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine
CID 171248862
4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]benzene-1,2-diol
CID 171245554
4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2-bromophenol
CID 171247817
(R)-(4-tert-butylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171240272
2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-5-methoxyphenol
CID 171246523
5-[(S)-amino-[4-(trifluoromethoxy)phenyl]methyl]benzene-1,3-diol;hydrochloride
CID 171239519
(S)-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171242731
2-[(S)-amino-[4-(trifluoromethoxy)phenyl]methyl]-4,6-ditert-butylphenol
CID 171240292
2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-5-bromophenol;hydrochloride
CID 171247977
2-[(S)-amino-[4-(trifluoromethoxy)phenyl]methyl]-5-methoxyphenol;hydrochloride
CID 171239810

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-4-(trifluoromethyl)phenol?
The IUPAC name of 2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-4-(trifluoromethyl)phenol (CID 171258095) is 2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-4-(trifluoromethyl)phenol.
What is the SMILES notation for 2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-4-(trifluoromethyl)phenol?
The canonical SMILES for 2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-4-(trifluoromethyl)phenol is N[C@H](c1ccc(OC(F)(F)F)cc1)c1cc(C(F)(F)F)ccc1O.
What is the InChIKey of 2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-4-(trifluoromethyl)phenol?
The InChIKey is VENHGUDOUDZBTP-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H11F6NO2/c16-14(17,18)9-3-6-12(23)11(7-9)13(22)8-1-4-10(5-2-8)24-15(19,20)21/h1-7,13,23H,22H2/t13-/m1/s1.
What are the key properties of 2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-4-(trifluoromethyl)phenol?
2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-4-(trifluoromethyl)phenol has a molecular weight of 351.25 g/mol, XLogP of 4.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-4-(trifluoromethyl)phenol is sourced from PubChem (CID 171258095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).