1-(2-methylcyclobutyl)-2-(trifluoromethyl)benzene

C12H13F3 — CID 118593677

IUPAC1-(2-methylcyclobutyl)-2-(trifluoromethyl)benzene
SMILESCC1CCC1c1ccccc1C(F)(F)F
InChIInChI=1S/C12H13F3/c1-8-6-7-9(8)10-4-2-3-5-11(10)12(13,14)15/h2-5,8-9H,6-7H2,1H3
InChIKeyWUBSOXHATHYLKX-UHFFFAOYSA-N
MW214.23 g/mol
LogP4.22
Rot. Bonds1

About 1-(2-methylcyclobutyl)-2-(trifluoromethyl)benzene

1-(2-methylcyclobutyl)-2-(trifluoromethyl)benzene (PubChem CID 118593677) has the molecular formula C12H13F3 and a molecular weight of 214.23 g/mol. Its IUPAC name is 1-(2-methylcyclobutyl)-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(2-methylcyclobutyl)-2-(trifluoromethyl)benzene
PubChem CID118593677
Molecular FormulaC12H13F3
Molecular Weight214.23 g/mol
Exact Mass214.10
IUPAC Name1-(2-methylcyclobutyl)-2-(trifluoromethyl)benzene
SMILESCC1CCC1c1ccccc1C(F)(F)F
InChIInChI=1S/C12H13F3/c1-8-6-7-9(8)10-4-2-3-5-11(10)12(13,14)15/h2-5,8-9H,6-7H2,1H3
InChIKeyWUBSOXHATHYLKX-UHFFFAOYSA-N
XLogP4.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(2-bromocyclopropyl)-2-(trifluoromethyl)benzene
CID 130539881
trans-(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 94603912
trans-(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopentan-1-amine
CID 94603915
1-methyl-4-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 118271900
(1S)-1-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]ethanol
CID 28912537
4,4-dimethyl-2-[2-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 81013823
[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanamine
CID 44572757
4-ethyl-2-[2-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 81014823
N-cycloheptyl-N-methyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 112806629
4-[2-(trifluoromethyl)phenyl]cyclohexane-1-carbaldehyde
CID 175214465
4-[2-(trifluoromethyl)phenyl]oxane
CID 90852424
2-methyl-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclobutyl]benzamide
CID 144740074

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclobutyl)-2-(trifluoromethyl)benzene?
The IUPAC name of 1-(2-methylcyclobutyl)-2-(trifluoromethyl)benzene (CID 118593677) is 1-(2-methylcyclobutyl)-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(2-methylcyclobutyl)-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-(2-methylcyclobutyl)-2-(trifluoromethyl)benzene is CC1CCC1c1ccccc1C(F)(F)F.
What is the InChIKey of 1-(2-methylcyclobutyl)-2-(trifluoromethyl)benzene?
The InChIKey is WUBSOXHATHYLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3/c1-8-6-7-9(8)10-4-2-3-5-11(10)12(13,14)15/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 1-(2-methylcyclobutyl)-2-(trifluoromethyl)benzene?
1-(2-methylcyclobutyl)-2-(trifluoromethyl)benzene has a molecular weight of 214.23 g/mol, XLogP of 4.22, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclobutyl)-2-(trifluoromethyl)benzene is sourced from PubChem (CID 118593677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).