cyclopropyl-[3-methyl-5-(trifluoromethyl)phenyl]methanone

C12H11F3O — CID 168950566

IUPACcyclopropyl-[3-methyl-5-(trifluoromethyl)phenyl]methanone
SMILESCc1cc(C(=O)C2CC2)cc(C(F)(F)F)c1
InChIInChI=1S/C12H11F3O/c1-7-4-9(11(16)8-2-3-8)6-10(5-7)12(13,14)15/h4-6,8H,2-3H2,1H3
InChIKeyYWQQIHRFSZJEFO-UHFFFAOYSA-N
MW228.21 g/mol
LogP3.61
Rot. Bonds2

About cyclopropyl-[3-methyl-5-(trifluoromethyl)phenyl]methanone

cyclopropyl-[3-methyl-5-(trifluoromethyl)phenyl]methanone (PubChem CID 168950566) has the molecular formula C12H11F3O and a molecular weight of 228.21 g/mol. Its IUPAC name is cyclopropyl-[3-methyl-5-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Namecyclopropyl-[3-methyl-5-(trifluoromethyl)phenyl]methanone
PubChem CID168950566
Molecular FormulaC12H11F3O
Molecular Weight228.21 g/mol
Exact Mass228.08
IUPAC Namecyclopropyl-[3-methyl-5-(trifluoromethyl)phenyl]methanone
SMILESCc1cc(C(=O)C2CC2)cc(C(F)(F)F)c1
InChIInChI=1S/C12H11F3O/c1-7-4-9(11(16)8-2-3-8)6-10(5-7)12(13,14)15/h4-6,8H,2-3H2,1H3
InChIKeyYWQQIHRFSZJEFO-UHFFFAOYSA-N
XLogP3.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-5-(trifluoromethyl)benzamide
CID 2775571
cyclobutyl-(3,5-dimethylphenyl)methanone
CID 24724134
[3-bromo-5-(trifluoromethyl)phenyl]-piperidin-4-ylmethanone
CID 90020499
[3,5-bis(trifluoromethyl)phenyl]-(8-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171939629
(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-[3-methyl-5-(trifluoromethyl)phenyl]methanone
CID 171949880
1-bromo-3-methyl-5-(trifluoromethyl)benzene;3-methyl-5-(trifluoromethyl)benzoic acid
CID 160510157
[3,5-bis(trifluoromethyl)phenyl]-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
CID 171939633
9H-fluoren-9-ylmethyl 3-[3-methyl-5-(trifluoromethyl)benzoyl]-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171949873
3-methyl-5-(trifluoromethyl)benzoic acid;[3-methyl-5-(trifluoromethyl)phenyl]methanol
CID 158005309
cyclopropyl-(3,4,5-trifluorophenyl)methanone
CID 24724112
1-methyl-3-(1,2,2-trichloroethenyl)-5-(trifluoromethyl)benzene
CID 23036241
(3-amino-5-methylphenyl)-cyclopentylmethanone
CID 130689709

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[3-methyl-5-(trifluoromethyl)phenyl]methanone?
The IUPAC name of cyclopropyl-[3-methyl-5-(trifluoromethyl)phenyl]methanone (CID 168950566) is cyclopropyl-[3-methyl-5-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for cyclopropyl-[3-methyl-5-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for cyclopropyl-[3-methyl-5-(trifluoromethyl)phenyl]methanone is Cc1cc(C(=O)C2CC2)cc(C(F)(F)F)c1.
What is the InChIKey of cyclopropyl-[3-methyl-5-(trifluoromethyl)phenyl]methanone?
The InChIKey is YWQQIHRFSZJEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3O/c1-7-4-9(11(16)8-2-3-8)6-10(5-7)12(13,14)15/h4-6,8H,2-3H2,1H3.
What are the key properties of cyclopropyl-[3-methyl-5-(trifluoromethyl)phenyl]methanone?
cyclopropyl-[3-methyl-5-(trifluoromethyl)phenyl]methanone has a molecular weight of 228.21 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[3-methyl-5-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 168950566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).