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

C14H11F4NO2 — CID 171245952

IUPAC4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-3-fluorophenol
SMILESN[C@H](c1ccc(OC(F)(F)F)cc1)c1ccc(O)cc1F
InChIInChI=1S/C14H11F4NO2/c15-12-7-9(20)3-6-11(12)13(19)8-1-4-10(5-2-8)21-14(16,17)18/h1-7,13,20H,19H2/t13-/m1/s1
InChIKeyCNJILSHNLAFLRH-CYBMUJFWSA-N
MW301.24 g/mol
LogP3.48
Rot. Bonds3

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

4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-3-fluorophenol (PubChem CID 171245952) has the molecular formula C14H11F4NO2 and a molecular weight of 301.24 g/mol. Its IUPAC name is 4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-3-fluorophenol.

Molecular Properties

Compound Name4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-3-fluorophenol
PubChem CID171245952
Molecular FormulaC14H11F4NO2
Molecular Weight301.24 g/mol
Exact Mass301.07
IUPAC Name4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-3-fluorophenol
SMILESN[C@H](c1ccc(OC(F)(F)F)cc1)c1ccc(O)cc1F
InChIInChI=1S/C14H11F4NO2/c15-12-7-9(20)3-6-11(12)13(19)8-1-4-10(5-2-8)21-14(16,17)18/h1-7,13,20H,19H2/t13-/m1/s1
InChIKeyCNJILSHNLAFLRH-CYBMUJFWSA-N
XLogP3.48
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.24
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-[2-fluoro-4-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine
CID 171248862
(S)-(2-fluoro-4-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171239584
6-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2,3-difluorophenol
CID 171256466
2-[(S)-amino-[4-(trifluoromethoxy)phenyl]methyl]-4-chloro-6-fluorophenol
CID 171255948
2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-5-methoxyphenol
CID 171246523
2-[(S)-amino-[4-(trifluoromethoxy)phenyl]methyl]-5-methoxyphenol;hydrochloride
CID 171239810
2-[(S)-amino-[4-(trifluoromethoxy)phenyl]methyl]-6-fluorophenol
CID 171239131
3-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]phenol
CID 171245719
2-[(S)-amino-[4-(trifluoromethoxy)phenyl]methyl]-6-fluorophenol;hydrochloride
CID 171239132
5-[(S)-amino-[4-(trifluoromethoxy)phenyl]methyl]benzene-1,3-diol;hydrochloride
CID 171239519
3-[(S)-amino-[4-(trifluoromethoxy)phenyl]methyl]-6-fluoro-2-hydroxybenzonitrile
CID 171256079
2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-5-bromophenol;hydrochloride
CID 171247977

Frequently Asked Questions

What is the IUPAC name of 4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-3-fluorophenol?
The IUPAC name of 4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-3-fluorophenol (CID 171245952) is 4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-3-fluorophenol.
What is the SMILES notation for 4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-3-fluorophenol?
The canonical SMILES for 4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-3-fluorophenol is N[C@H](c1ccc(OC(F)(F)F)cc1)c1ccc(O)cc1F.
What is the InChIKey of 4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-3-fluorophenol?
The InChIKey is CNJILSHNLAFLRH-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H11F4NO2/c15-12-7-9(20)3-6-11(12)13(19)8-1-4-10(5-2-8)21-14(16,17)18/h1-7,13,20H,19H2/t13-/m1/s1.
What are the key properties of 4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-3-fluorophenol?
4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-3-fluorophenol has a molecular weight of 301.24 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-3-fluorophenol is sourced from PubChem (CID 171245952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).