6-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2,3-difluorophenol

C14H10F5NO2 — CID 171256466

IUPAC6-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2,3-difluorophenol
SMILESN[C@H](c1ccc(OC(F)(F)F)cc1)c1ccc(F)c(F)c1O
InChIInChI=1S/C14H10F5NO2/c15-10-6-5-9(13(21)11(10)16)12(20)7-1-3-8(4-2-7)22-14(17,18)19/h1-6,12,21H,20H2/t12-/m1/s1
InChIKeyHYKBRMXLPWJDPD-GFCCVEGCSA-N
MW319.23 g/mol
LogP3.62
Rot. Bonds3

About 6-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2,3-difluorophenol

6-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2,3-difluorophenol (PubChem CID 171256466) has the molecular formula C14H10F5NO2 and a molecular weight of 319.23 g/mol. Its IUPAC name is 6-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2,3-difluorophenol.

Molecular Properties

Compound Name6-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2,3-difluorophenol
PubChem CID171256466
Molecular FormulaC14H10F5NO2
Molecular Weight319.23 g/mol
Exact Mass319.06
IUPAC Name6-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2,3-difluorophenol
SMILESN[C@H](c1ccc(OC(F)(F)F)cc1)c1ccc(F)c(F)c1O
InChIInChI=1S/C14H10F5NO2/c15-10-6-5-9(13(21)11(10)16)12(20)7-1-3-8(4-2-7)22-14(17,18)19/h1-6,12,21H,20H2/t12-/m1/s1
InChIKeyHYKBRMXLPWJDPD-GFCCVEGCSA-N
XLogP3.62
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.23
LogP ≤ 53.62
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

6-[(S)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2-fluoro-3-methylphenol;hydrochloride
CID 171253436
3-[(S)-amino-[4-(trifluoromethoxy)phenyl]methyl]-6-fluoro-2-hydroxybenzonitrile
CID 171256079
2-[(S)-amino-[4-(trifluoromethoxy)phenyl]methyl]-6-fluorophenol
CID 171239131
2-[(S)-amino-[4-(trifluoromethoxy)phenyl]methyl]-6-fluorophenol;hydrochloride
CID 171239132
4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-3-fluorophenol
CID 171245952
2-[(S)-amino-[4-(trifluoromethoxy)phenyl]methyl]-4-chloro-6-fluorophenol
CID 171255948
6-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-4-bromo-2,3-difluorophenol;hydrochloride
CID 171257942
2-[(S)-amino-[4-(trifluoromethoxy)phenyl]methyl]-6-(trifluoromethoxy)phenol;hydrochloride
CID 171255541
2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-3-fluoro-6-methylphenol
CID 171257315
(S)-(2-fluoro-4-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171239584
(R)-[2-fluoro-4-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine
CID 171248862
(R)-(4-chloro-2-methylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171250333

Frequently Asked Questions

What is the IUPAC name of 6-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2,3-difluorophenol?
The IUPAC name of 6-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2,3-difluorophenol (CID 171256466) is 6-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2,3-difluorophenol.
What is the SMILES notation for 6-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2,3-difluorophenol?
The canonical SMILES for 6-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2,3-difluorophenol is N[C@H](c1ccc(OC(F)(F)F)cc1)c1ccc(F)c(F)c1O.
What is the InChIKey of 6-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2,3-difluorophenol?
The InChIKey is HYKBRMXLPWJDPD-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H10F5NO2/c15-10-6-5-9(13(21)11(10)16)12(20)7-1-3-8(4-2-7)22-14(17,18)19/h1-6,12,21H,20H2/t12-/m1/s1.
What are the key properties of 6-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2,3-difluorophenol?
6-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2,3-difluorophenol has a molecular weight of 319.23 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2,3-difluorophenol is sourced from PubChem (CID 171256466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).