cyclopropyl-[2-hydroxy-4-(trifluoromethyl)phenyl]methanone

C11H9F3O2 — CID 82262955

IUPACcyclopropyl-[2-hydroxy-4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1O)C1CC1
InChIInChI=1S/C11H9F3O2/c12-11(13,14)7-3-4-8(9(15)5-7)10(16)6-1-2-6/h3-6,15H,1-2H2
InChIKeySKGQBNATKCCVJE-UHFFFAOYSA-N
MW230.18 g/mol
LogP3.00
Rot. Bonds2

About cyclopropyl-[2-hydroxy-4-(trifluoromethyl)phenyl]methanone

cyclopropyl-[2-hydroxy-4-(trifluoromethyl)phenyl]methanone (PubChem CID 82262955) has the molecular formula C11H9F3O2 and a molecular weight of 230.18 g/mol. Its IUPAC name is cyclopropyl-[2-hydroxy-4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Namecyclopropyl-[2-hydroxy-4-(trifluoromethyl)phenyl]methanone
PubChem CID82262955
Molecular FormulaC11H9F3O2
Molecular Weight230.18 g/mol
Exact Mass230.06
IUPAC Namecyclopropyl-[2-hydroxy-4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1O)C1CC1
InChIInChI=1S/C11H9F3O2/c12-11(13,14)7-3-4-8(9(15)5-7)10(16)6-1-2-6/h3-6,15H,1-2H2
InChIKeySKGQBNATKCCVJE-UHFFFAOYSA-N
XLogP3.00
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.18
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclobutyl-[2-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 175669824
(4-ethylcyclohexyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102752536
cyclopropyl-[2-propoxy-5-(trifluoromethyl)phenyl]methanone
CID 82262902
cyclopropyl-[4-fluoro-2-(trifluoromethyl)phenyl]methanone
CID 118170789
2-(1-hydroxyethenyl)-5-(trifluoromethyl)phenol
CID 162619024
4-[2-fluoro-5-(trifluoromethyl)benzoyl]piperidine-1-carboxylic acid
CID 23112413
2-[2-hydroxy-4-(trifluoromethyl)benzoyl]benzoic acid
CID 171830769
1-[2-hydroxy-4-(trifluoromethyl)phenyl]-2-(methylamino)ethanone
CID 84696388
cyclopropyl-[2-(trifluoromethyl)phenyl]methanone
CID 24724101
cyclopropyl-(5-fluoro-2-hydroxyphenyl)methanone
CID 62379019
CID 67091808
CID 67091808
2-hydroxy-4-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 154341283

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[2-hydroxy-4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of cyclopropyl-[2-hydroxy-4-(trifluoromethyl)phenyl]methanone (CID 82262955) is cyclopropyl-[2-hydroxy-4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for cyclopropyl-[2-hydroxy-4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for cyclopropyl-[2-hydroxy-4-(trifluoromethyl)phenyl]methanone is O=C(c1ccc(C(F)(F)F)cc1O)C1CC1.
What is the InChIKey of cyclopropyl-[2-hydroxy-4-(trifluoromethyl)phenyl]methanone?
The InChIKey is SKGQBNATKCCVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3O2/c12-11(13,14)7-3-4-8(9(15)5-7)10(16)6-1-2-6/h3-6,15H,1-2H2.
What are the key properties of cyclopropyl-[2-hydroxy-4-(trifluoromethyl)phenyl]methanone?
cyclopropyl-[2-hydroxy-4-(trifluoromethyl)phenyl]methanone has a molecular weight of 230.18 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[2-hydroxy-4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 82262955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).