2-(1-hydroxyethenyl)-5-(trifluoromethyl)phenol

C9H7F3O2 — CID 162619024

IUPAC2-(1-hydroxyethenyl)-5-(trifluoromethyl)phenol
SMILESC=C(O)c1ccc(C(F)(F)F)cc1O
InChIInChI=1S/C9H7F3O2/c1-5(13)7-3-2-6(4-8(7)14)9(10,11)12/h2-4,13-14H,1H2
InChIKeyAMPTYQJVJYGRQB-UHFFFAOYSA-N
MW204.15 g/mol
LogP2.94
Rot. Bonds1

About 2-(1-hydroxyethenyl)-5-(trifluoromethyl)phenol

2-(1-hydroxyethenyl)-5-(trifluoromethyl)phenol (PubChem CID 162619024) has the molecular formula C9H7F3O2 and a molecular weight of 204.15 g/mol. Its IUPAC name is 2-(1-hydroxyethenyl)-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-(1-hydroxyethenyl)-5-(trifluoromethyl)phenol
PubChem CID162619024
Molecular FormulaC9H7F3O2
Molecular Weight204.15 g/mol
Exact Mass204.04
IUPAC Name2-(1-hydroxyethenyl)-5-(trifluoromethyl)phenol
SMILESC=C(O)c1ccc(C(F)(F)F)cc1O
InChIInChI=1S/C9H7F3O2/c1-5(13)7-3-2-6(4-8(7)14)9(10,11)12/h2-4,13-14H,1H2
InChIKeyAMPTYQJVJYGRQB-UHFFFAOYSA-N
XLogP2.94
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.15
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

4-(1-hydroxyethenyl)benzene-1,3-diol
CID 89199480
2-[2-hydroxy-4-(trifluoromethyl)benzoyl]benzoic acid
CID 171830769
2-sulfanyl-5-(trifluoromethyl)phenol
CID 130035062
cyclopropyl-[2-hydroxy-4-(trifluoromethyl)phenyl]methanone
CID 82262955
benzenesulfonyl 2-hydroxy-4-(trifluoromethyl)benzoate
CID 141476658
2-[(1Z)-1,4-diamino-2-methyl-3-(methylideneamino)buta-1,3-dienyl]-5-(trifluoromethyl)phenol
CID 172621325
1-[2-hydroxy-4-(trifluoromethyl)phenyl]-2-(methylamino)ethanone
CID 84696388
2-hydroxy-4-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 154341283
N-[amino(phenyl)methylidene]-4-formyl-N'-[1-[2-hydroxy-4-(trifluoromethyl)phenyl]ethenyl]benzenecarboximidamide
CID 88997763
2-(ethylamino)-5-(trifluoromethyl)phenol
CID 82262951
2-chloro-4-(trifluoromethyl)phenol
CID 2736603
2-methyl-4-(trifluoromethyl)phenol;hydrochloride
CID 172689490

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxyethenyl)-5-(trifluoromethyl)phenol?
The IUPAC name of 2-(1-hydroxyethenyl)-5-(trifluoromethyl)phenol (CID 162619024) is 2-(1-hydroxyethenyl)-5-(trifluoromethyl)phenol.
What is the SMILES notation for 2-(1-hydroxyethenyl)-5-(trifluoromethyl)phenol?
The canonical SMILES for 2-(1-hydroxyethenyl)-5-(trifluoromethyl)phenol is C=C(O)c1ccc(C(F)(F)F)cc1O.
What is the InChIKey of 2-(1-hydroxyethenyl)-5-(trifluoromethyl)phenol?
The InChIKey is AMPTYQJVJYGRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3O2/c1-5(13)7-3-2-6(4-8(7)14)9(10,11)12/h2-4,13-14H,1H2.
What are the key properties of 2-(1-hydroxyethenyl)-5-(trifluoromethyl)phenol?
2-(1-hydroxyethenyl)-5-(trifluoromethyl)phenol has a molecular weight of 204.15 g/mol, XLogP of 2.94, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxyethenyl)-5-(trifluoromethyl)phenol is sourced from PubChem (CID 162619024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).