cyclopropyl-(3,4,5-trifluorophenyl)methanone

C10H7F3O — CID 24724112

IUPACcyclopropyl-(3,4,5-trifluorophenyl)methanone
SMILESO=C(c1cc(F)c(F)c(F)c1)C1CC1
InChIInChI=1S/C10H7F3O/c11-7-3-6(4-8(12)9(7)13)10(14)5-1-2-5/h3-5H,1-2H2
InChIKeyOTZGKNDQZVPBAX-UHFFFAOYSA-N
MW200.16 g/mol
LogP2.70
Rot. Bonds2

About cyclopropyl-(3,4,5-trifluorophenyl)methanone

cyclopropyl-(3,4,5-trifluorophenyl)methanone (PubChem CID 24724112) has the molecular formula C10H7F3O and a molecular weight of 200.16 g/mol. Its IUPAC name is cyclopropyl-(3,4,5-trifluorophenyl)methanone.

Molecular Properties

Compound Namecyclopropyl-(3,4,5-trifluorophenyl)methanone
PubChem CID24724112
Molecular FormulaC10H7F3O
Molecular Weight200.16 g/mol
Exact Mass200.04
IUPAC Namecyclopropyl-(3,4,5-trifluorophenyl)methanone
SMILESO=C(c1cc(F)c(F)c(F)c1)C1CC1
InChIInChI=1S/C10H7F3O/c11-7-3-6(4-8(12)9(7)13)10(14)5-1-2-5/h3-5H,1-2H2
InChIKeyOTZGKNDQZVPBAX-UHFFFAOYSA-N
XLogP2.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.16
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(3,4,5-trifluorophenyl)methanone
CID 171948261
1,2,3,4-tetrahydronaphthalen-2-yl-(3,4,5-trifluorophenyl)methanone
CID 107126876
(3,4-difluorophenyl)-[4-(methylamino)cyclohexyl]methanone
CID 116917605
2-(3,4,5-trifluorobenzoyl)cyclohexane-1-carboxylic acid
CID 146004587
4-(3,4,5-trifluorophenyl)cyclohexane-1-carboxylic acid
CID 19746986
cyclopentyl-(4-fluoro-3,5-dimethylphenyl)methanone
CID 65298882
cyclopropyl-(3,5-dibromophenyl)methanone
CID 107976980
cyclohexyl-(3,5-difluorophenyl)methanone
CID 24724213
N-[2-(cyclopropanecarbonylamino)ethyl]-3,4,5-trifluorobenzamide
CID 115610674
(3,4-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanone
CID 105098223
4-(4-fluoro-3-methylbenzoyl)cyclohexane-1-carboxylic acid
CID 116918664
cyclopropyl-[3-methyl-5-(trifluoromethyl)phenyl]methanone
CID 168950566

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(3,4,5-trifluorophenyl)methanone?
The IUPAC name of cyclopropyl-(3,4,5-trifluorophenyl)methanone (CID 24724112) is cyclopropyl-(3,4,5-trifluorophenyl)methanone.
What is the SMILES notation for cyclopropyl-(3,4,5-trifluorophenyl)methanone?
The canonical SMILES for cyclopropyl-(3,4,5-trifluorophenyl)methanone is O=C(c1cc(F)c(F)c(F)c1)C1CC1.
What is the InChIKey of cyclopropyl-(3,4,5-trifluorophenyl)methanone?
The InChIKey is OTZGKNDQZVPBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3O/c11-7-3-6(4-8(12)9(7)13)10(14)5-1-2-5/h3-5H,1-2H2.
What are the key properties of cyclopropyl-(3,4,5-trifluorophenyl)methanone?
cyclopropyl-(3,4,5-trifluorophenyl)methanone has a molecular weight of 200.16 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(3,4,5-trifluorophenyl)methanone is sourced from PubChem (CID 24724112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).