2,3-diamino-5-(trifluoromethyl)phenol

C7H7F3N2O — CID 142974486

IUPAC2,3-diamino-5-(trifluoromethyl)phenol
SMILESNc1cc(C(F)(F)F)cc(O)c1N
InChIInChI=1S/C7H7F3N2O/c8-7(9,10)3-1-4(11)6(12)5(13)2-3/h1-2,13H,11-12H2
InChIKeyHXDAOXWMGQDMMO-UHFFFAOYSA-N
MW192.14 g/mol
LogP1.58
Rot. Bonds

About 2,3-diamino-5-(trifluoromethyl)phenol

2,3-diamino-5-(trifluoromethyl)phenol (PubChem CID 142974486) has the molecular formula C7H7F3N2O and a molecular weight of 192.14 g/mol. Its IUPAC name is 2,3-diamino-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2,3-diamino-5-(trifluoromethyl)phenol
PubChem CID142974486
Molecular FormulaC7H7F3N2O
Molecular Weight192.14 g/mol
Exact Mass192.05
IUPAC Name2,3-diamino-5-(trifluoromethyl)phenol
SMILESNc1cc(C(F)(F)F)cc(O)c1N
InChIInChI=1S/C7H7F3N2O/c8-7(9,10)3-1-4(11)6(12)5(13)2-3/h1-2,13H,11-12H2
InChIKeyHXDAOXWMGQDMMO-UHFFFAOYSA-N
XLogP1.58
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(trifluoromethyl)bicyclo[3.1.0]hexa-1,3,5-trien-6-amine
CID 174741615
2,3-dimethyl-5-(trifluoromethyl)phenol
CID 130769403
acetic acid;2-amino-4-(trifluoromethyl)phenol
CID 174902727
3-bromo-5-(trifluoromethyl)benzene-1,2-diol
CID 59643037
2,6-dimethyl-4-(trifluoromethyl)aniline;methane
CID 160577208
2-amino-5-[2-(4-amino-3,5-dihydroxyphenyl)propan-2-yl]benzene-1,3-diol
CID 19098019
2-bromo-3-fluoro-5-(trifluoromethyl)phenol
CID 130923632
3-fluoro-2-methyl-5-(trifluoromethyl)phenol
CID 164891329
2-sulfanyl-3,5-bis(trifluoromethyl)phenol
CID 119023054
2-chloro-3,5-bis(trifluoromethyl)aniline
CID 2757429
3-amino-2,5-bis(trifluoromethyl)benzoyl chloride
CID 134624066
6-amino-1-(3,4-diamino-5-hydroxyphenyl)-5-(trifluoromethyl)pyridin-2-one
CID 123929395

Frequently Asked Questions

What is the IUPAC name of 2,3-diamino-5-(trifluoromethyl)phenol?
The IUPAC name of 2,3-diamino-5-(trifluoromethyl)phenol (CID 142974486) is 2,3-diamino-5-(trifluoromethyl)phenol.
What is the SMILES notation for 2,3-diamino-5-(trifluoromethyl)phenol?
The canonical SMILES for 2,3-diamino-5-(trifluoromethyl)phenol is Nc1cc(C(F)(F)F)cc(O)c1N.
What is the InChIKey of 2,3-diamino-5-(trifluoromethyl)phenol?
The InChIKey is HXDAOXWMGQDMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O/c8-7(9,10)3-1-4(11)6(12)5(13)2-3/h1-2,13H,11-12H2.
What are the key properties of 2,3-diamino-5-(trifluoromethyl)phenol?
2,3-diamino-5-(trifluoromethyl)phenol has a molecular weight of 192.14 g/mol, XLogP of 1.58, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diamino-5-(trifluoromethyl)phenol is sourced from PubChem (CID 142974486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).