2-methyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbaldehyde

C12H11F3O — CID 105485231

IUPAC2-methyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbaldehyde
SMILESCC1(c2ccccc2C(F)(F)F)CC1C=O
InChIInChI=1S/C12H11F3O/c1-11(6-8(11)7-16)9-4-2-3-5-10(9)12(13,14)15/h2-5,7-8H,6H2,1H3
InChIKeyMXCCYMRMIRDTOF-UHFFFAOYSA-N
MW228.21 g/mol
LogP3.18
Rot. Bonds2

About 2-methyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbaldehyde

2-methyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbaldehyde (PubChem CID 105485231) has the molecular formula C12H11F3O and a molecular weight of 228.21 g/mol. Its IUPAC name is 2-methyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Name2-methyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbaldehyde
PubChem CID105485231
Molecular FormulaC12H11F3O
Molecular Weight228.21 g/mol
Exact Mass228.08
IUPAC Name2-methyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbaldehyde
SMILESCC1(c2ccccc2C(F)(F)F)CC1C=O
InChIInChI=1S/C12H11F3O/c1-11(6-8(11)7-16)9-4-2-3-5-10(9)12(13,14)15/h2-5,7-8H,6H2,1H3
InChIKeyMXCCYMRMIRDTOF-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethyl-3-[2-(trifluoromethyl)phenyl]pyrrolidine
CID 62353196
2-methyl-N-[[2-methyl-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methyl]propan-1-amine
CID 62714066
1-[2-(trifluoromethyl)phenyl]cyclobutane-1-carbaldehyde
CID 59680954
3,5-dimethyl-1-[2-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 64752431
2-ethyl-3-methyl-3-[2-(trifluoromethyl)phenyl]pyrrolidine
CID 55063141
2,4,4-trimethyl-8-(trifluoromethyl)-2,3-dihydro-1H-quinoline
CID 117272157
ethyl 4-methyl-4-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylate
CID 114486741
1-(1-isocyanato-3,3-dimethylcyclobutyl)-2-(trifluoromethyl)benzene
CID 115050167
2-methyl-2-(4-methylphenyl)cyclopropane-1-carbaldehyde
CID 105435846
3-amino-1-[2-(trifluoromethyl)phenyl]cyclobutan-1-ol
CID 80561038
[2-propyl-1-[2-(trifluoromethyl)phenyl]cyclopropyl]methanamine
CID 156785365
5-(2,2-dimethylcyclopropyl)-2-[2-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-3-carbaldehyde
CID 174652417

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbaldehyde?
The IUPAC name of 2-methyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbaldehyde (CID 105485231) is 2-methyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbaldehyde.
What is the SMILES notation for 2-methyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbaldehyde?
The canonical SMILES for 2-methyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbaldehyde is CC1(c2ccccc2C(F)(F)F)CC1C=O.
What is the InChIKey of 2-methyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbaldehyde?
The InChIKey is MXCCYMRMIRDTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3O/c1-11(6-8(11)7-16)9-4-2-3-5-10(9)12(13,14)15/h2-5,7-8H,6H2,1H3.
What are the key properties of 2-methyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbaldehyde?
2-methyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbaldehyde has a molecular weight of 228.21 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbaldehyde is sourced from PubChem (CID 105485231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).