2,3-difluoro-6-[[3-(trifluoromethyl)phenyl]methylamino]phenol

C14H10F5NO — CID 69011759

IUPAC2,3-difluoro-6-[[3-(trifluoromethyl)phenyl]methylamino]phenol
SMILESOc1c(NCc2cccc(C(F)(F)F)c2)ccc(F)c1F
InChIInChI=1S/C14H10F5NO/c15-10-4-5-11(13(21)12(10)16)20-7-8-2-1-3-9(6-8)14(17,18)19/h1-6,20-21H,7H2
InChIKeySTHFEMLQFRDBMP-UHFFFAOYSA-N
MW303.23 g/mol
LogP4.30
Rot. Bonds3

About 2,3-difluoro-6-[[3-(trifluoromethyl)phenyl]methylamino]phenol

2,3-difluoro-6-[[3-(trifluoromethyl)phenyl]methylamino]phenol (PubChem CID 69011759) has the molecular formula C14H10F5NO and a molecular weight of 303.23 g/mol. Its IUPAC name is 2,3-difluoro-6-[[3-(trifluoromethyl)phenyl]methylamino]phenol.

Molecular Properties

Compound Name2,3-difluoro-6-[[3-(trifluoromethyl)phenyl]methylamino]phenol
PubChem CID69011759
Molecular FormulaC14H10F5NO
Molecular Weight303.23 g/mol
Exact Mass303.07
IUPAC Name2,3-difluoro-6-[[3-(trifluoromethyl)phenyl]methylamino]phenol
SMILESOc1c(NCc2cccc(C(F)(F)F)c2)ccc(F)c1F
InChIInChI=1S/C14H10F5NO/c15-10-4-5-11(13(21)12(10)16)20-7-8-2-1-3-9(6-8)14(17,18)19/h1-6,20-21H,7H2
InChIKeySTHFEMLQFRDBMP-UHFFFAOYSA-N
XLogP4.30
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2,3,5-trifluoro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 62809900
2,5-dimethyl-4-[[3-(trifluoromethyl)phenyl]methylamino]phenol
CID 106954168
2,3-difluoro-6-[[3-(4-methoxyphenoxy)phenyl]methylamino]phenol
CID 69014436
2-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 28521330
N-[[3-(aminomethyl)phenyl]methyl]-2-fluoro-4-(trifluoromethyl)aniline
CID 107303372
N-[(3-bromophenyl)methyl]-2-fluoro-5-(trifluoromethyl)aniline
CID 63463412
N-benzyl-2-fluoro-4-(trifluoromethyl)aniline
CID 103636039
2-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 41474710
2-iodo-1-N-[[3-(trifluoromethyl)phenyl]methyl]benzene-1,4-diamine
CID 66093731
N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 10658372
4-(chloromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 65025403
3-chloro-5-fluoro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 107363874

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-6-[[3-(trifluoromethyl)phenyl]methylamino]phenol?
The IUPAC name of 2,3-difluoro-6-[[3-(trifluoromethyl)phenyl]methylamino]phenol (CID 69011759) is 2,3-difluoro-6-[[3-(trifluoromethyl)phenyl]methylamino]phenol.
What is the SMILES notation for 2,3-difluoro-6-[[3-(trifluoromethyl)phenyl]methylamino]phenol?
The canonical SMILES for 2,3-difluoro-6-[[3-(trifluoromethyl)phenyl]methylamino]phenol is Oc1c(NCc2cccc(C(F)(F)F)c2)ccc(F)c1F.
What is the InChIKey of 2,3-difluoro-6-[[3-(trifluoromethyl)phenyl]methylamino]phenol?
The InChIKey is STHFEMLQFRDBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F5NO/c15-10-4-5-11(13(21)12(10)16)20-7-8-2-1-3-9(6-8)14(17,18)19/h1-6,20-21H,7H2.
What are the key properties of 2,3-difluoro-6-[[3-(trifluoromethyl)phenyl]methylamino]phenol?
2,3-difluoro-6-[[3-(trifluoromethyl)phenyl]methylamino]phenol has a molecular weight of 303.23 g/mol, XLogP of 4.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-6-[[3-(trifluoromethyl)phenyl]methylamino]phenol is sourced from PubChem (CID 69011759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).