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

C14H12F3NO2 — CID 171245719

IUPAC3-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]phenol
SMILESN[C@H](c1ccc(OC(F)(F)F)cc1)c1cccc(O)c1
InChIInChI=1S/C14H12F3NO2/c15-14(16,17)20-12-6-4-9(5-7-12)13(18)10-2-1-3-11(19)8-10/h1-8,13,19H,18H2/t13-/m1/s1
InChIKeyYKROYQQNBGPQHR-CYBMUJFWSA-N
MW283.25 g/mol
LogP3.34
Rot. Bonds3

About 3-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]phenol

3-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]phenol (PubChem CID 171245719) has the molecular formula C14H12F3NO2 and a molecular weight of 283.25 g/mol. Its IUPAC name is 3-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]phenol.

Molecular Properties

Compound Name3-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]phenol
PubChem CID171245719
Molecular FormulaC14H12F3NO2
Molecular Weight283.25 g/mol
Exact Mass283.08
IUPAC Name3-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]phenol
SMILESN[C@H](c1ccc(OC(F)(F)F)cc1)c1cccc(O)c1
InChIInChI=1S/C14H12F3NO2/c15-14(16,17)20-12-6-4-9(5-7-12)13(18)10-2-1-3-11(19)8-10/h1-8,13,19H,18H2/t13-/m1/s1
InChIKeyYKROYQQNBGPQHR-CYBMUJFWSA-N
XLogP3.34
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(S)-amino-[4-(trifluoromethoxy)phenyl]methyl]benzene-1,3-diol;hydrochloride
CID 171239519
4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]benzene-1,2-diol
CID 171245554
(S)-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine
CID 171242513
(S)-[3-(difluoromethoxy)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine
CID 171241669
4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2-bromophenol
CID 171247817
methyl 3-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]benzoate
CID 171250951
4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-3-fluorophenol
CID 171245952
(R)-(3-nitrophenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171245523
(3,4-dichlorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 116628508
4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2,6-dimethylphenol;hydrochloride
CID 171248077
(R)-(4-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171245927
2-[(S)-amino-[4-(trifluoromethoxy)phenyl]methyl]-6-fluorophenol
CID 171239131

Frequently Asked Questions

What is the IUPAC name of 3-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]phenol?
The IUPAC name of 3-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]phenol (CID 171245719) is 3-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]phenol.
What is the SMILES notation for 3-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]phenol?
The canonical SMILES for 3-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]phenol is N[C@H](c1ccc(OC(F)(F)F)cc1)c1cccc(O)c1.
What is the InChIKey of 3-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]phenol?
The InChIKey is YKROYQQNBGPQHR-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H12F3NO2/c15-14(16,17)20-12-6-4-9(5-7-12)13(18)10-2-1-3-11(19)8-10/h1-8,13,19H,18H2/t13-/m1/s1.
What are the key properties of 3-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]phenol?
3-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]phenol has a molecular weight of 283.25 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]phenol is sourced from PubChem (CID 171245719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).