acetic acid;2-amino-4-(trifluoromethyl)phenol

C9H10F3NO3 — CID 174902727

IUPACacetic acid;2-amino-4-(trifluoromethyl)phenol
SMILESCC(=O)O.Nc1cc(C(F)(F)F)ccc1O
InChIInChI=1S/C7H6F3NO.C2H4O2/c8-7(9,10)4-1-2-6(12)5(11)3-4;1-2(3)4/h1-3,12H,11H2;1H3,(H,3,4)
InChIKeyHZYMUBXHNBLHLJ-UHFFFAOYSA-N
MW237.18 g/mol
LogP2.08
Rot. Bonds

About acetic acid;2-amino-4-(trifluoromethyl)phenol

acetic acid;2-amino-4-(trifluoromethyl)phenol (PubChem CID 174902727) has the molecular formula C9H10F3NO3 and a molecular weight of 237.18 g/mol. Its IUPAC name is acetic acid;2-amino-4-(trifluoromethyl)phenol.

Molecular Properties

Compound Nameacetic acid;2-amino-4-(trifluoromethyl)phenol
PubChem CID174902727
Molecular FormulaC9H10F3NO3
Molecular Weight237.18 g/mol
Exact Mass237.06
IUPAC Nameacetic acid;2-amino-4-(trifluoromethyl)phenol
SMILESCC(=O)O.Nc1cc(C(F)(F)F)ccc1O
InChIInChI=1S/C7H6F3NO.C2H4O2/c8-7(9,10)4-1-2-6(12)5(11)3-4;1-2(3)4/h1-3,12H,11H2;1H3,(H,3,4)
InChIKeyHZYMUBXHNBLHLJ-UHFFFAOYSA-N
XLogP2.08
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 52.08
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

N-[2-amino-4-(trifluoromethyl)phenyl]acetamide
CID 2779452
2-amino-4-[2-(3-amino-4-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenol
CID 161319998
2-amino-4-tert-butylphenol;hydrochloride
CID 71441759
2-amino-4-[1-(3-amino-4-hydroxyphenyl)-1,1,2,3,3,3-hexafluoropropan-2-yl]phenol
CID 22621488
2-[2-amino-4-(trifluoromethyl)phenyl]sulfanylpropanamide
CID 43134935
(2-aminophenyl)-[2-hydroxy-5-(trifluoromethyl)phenyl]methanone
CID 95420268
2-[2-amino-4-(trifluoromethyl)phenyl]-2-methylpropanoyl chloride
CID 117047666
2-methyl-4-(trifluoromethyl)phenol;hydrochloride
CID 172689490
3-amino-4-hydroxybenzoic acid
CID 161134080
3-[2-amino-4-(trifluoromethyl)phenyl]sulfanylpropanoic acid
CID 61320071
2-amino-4-(trifluoromethyl)benzohydrazide;ethane
CID 145124989
S-[3-[2-amino-4-(trifluoromethyl)phenyl]prop-2-enyl] ethanethioate
CID 169457833

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-amino-4-(trifluoromethyl)phenol?
The IUPAC name of acetic acid;2-amino-4-(trifluoromethyl)phenol (CID 174902727) is acetic acid;2-amino-4-(trifluoromethyl)phenol.
What is the SMILES notation for acetic acid;2-amino-4-(trifluoromethyl)phenol?
The canonical SMILES for acetic acid;2-amino-4-(trifluoromethyl)phenol is CC(=O)O.Nc1cc(C(F)(F)F)ccc1O.
What is the InChIKey of acetic acid;2-amino-4-(trifluoromethyl)phenol?
The InChIKey is HZYMUBXHNBLHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO.C2H4O2/c8-7(9,10)4-1-2-6(12)5(11)3-4;1-2(3)4/h1-3,12H,11H2;1H3,(H,3,4).
What are the key properties of acetic acid;2-amino-4-(trifluoromethyl)phenol?
acetic acid;2-amino-4-(trifluoromethyl)phenol has a molecular weight of 237.18 g/mol, XLogP of 2.08, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-amino-4-(trifluoromethyl)phenol is sourced from PubChem (CID 174902727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).