1-(2,2-difluorocyclopropyl)-3-methyl-5-(trifluoromethyl)benzene

C11H9F5 — CID 155163789

IUPAC1-(2,2-difluorocyclopropyl)-3-methyl-5-(trifluoromethyl)benzene
SMILESCc1cc(C2CC2(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C11H9F5/c1-6-2-7(9-5-10(9,12)13)4-8(3-6)11(14,15)16/h2-4,9H,5H2,1H3
InChIKeyIPLKXQJJKLCINK-UHFFFAOYSA-N
MW236.18 g/mol
LogP4.14
Rot. Bonds1

About 1-(2,2-difluorocyclopropyl)-3-methyl-5-(trifluoromethyl)benzene

1-(2,2-difluorocyclopropyl)-3-methyl-5-(trifluoromethyl)benzene (PubChem CID 155163789) has the molecular formula C11H9F5 and a molecular weight of 236.18 g/mol. Its IUPAC name is 1-(2,2-difluorocyclopropyl)-3-methyl-5-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(2,2-difluorocyclopropyl)-3-methyl-5-(trifluoromethyl)benzene
PubChem CID155163789
Molecular FormulaC11H9F5
Molecular Weight236.18 g/mol
Exact Mass236.06
IUPAC Name1-(2,2-difluorocyclopropyl)-3-methyl-5-(trifluoromethyl)benzene
SMILESCc1cc(C2CC2(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C11H9F5/c1-6-2-7(9-5-10(9,12)13)4-8(3-6)11(14,15)16/h2-4,9H,5H2,1H3
InChIKeyIPLKXQJJKLCINK-UHFFFAOYSA-N
XLogP4.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.18
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-dimethyl-5-(trifluoromethyl)benzene;ethane
CID 143497301
1-[cyclopropyl(difluoro)methyl]-3-methyl-5-(trifluoromethyl)benzene;ethane
CID 155699105
5-[3-methyl-5-(trifluoromethyl)phenyl]-6-oxaspiro[3.4]octan-7-one
CID 148685225
1-[(1S)-2,2-difluorocyclopropyl]-4-methylbenzene
CID 52630352
ethane;1-[3-methyl-5-(trifluoromethyl)phenyl]piperidin-4-ol
CID 143712310
1-[difluoro(iodo)methyl]-3-methyl-5-(trifluoromethyl)benzene
CID 131977806
(4S)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 118602022
N-tert-butyl-3-methyl-5-(trifluoromethyl)aniline
CID 118333519
5-methyl-2,2-bis[3-methyl-5-(trifluoromethyl)phenyl]-1,3-dioxane
CID 147116324
8-methyl-3-[3-methyl-5-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 171964029
1-[3-methyl-5-(trifluoromethyl)phenyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one
CID 123364785
bis(3,5-dimethylphenyl)-[3-methyl-5-(trifluoromethyl)phenyl]sulfanium
CID 163603392

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluorocyclopropyl)-3-methyl-5-(trifluoromethyl)benzene?
The IUPAC name of 1-(2,2-difluorocyclopropyl)-3-methyl-5-(trifluoromethyl)benzene (CID 155163789) is 1-(2,2-difluorocyclopropyl)-3-methyl-5-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(2,2-difluorocyclopropyl)-3-methyl-5-(trifluoromethyl)benzene?
The canonical SMILES for 1-(2,2-difluorocyclopropyl)-3-methyl-5-(trifluoromethyl)benzene is Cc1cc(C2CC2(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 1-(2,2-difluorocyclopropyl)-3-methyl-5-(trifluoromethyl)benzene?
The InChIKey is IPLKXQJJKLCINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F5/c1-6-2-7(9-5-10(9,12)13)4-8(3-6)11(14,15)16/h2-4,9H,5H2,1H3.
What are the key properties of 1-(2,2-difluorocyclopropyl)-3-methyl-5-(trifluoromethyl)benzene?
1-(2,2-difluorocyclopropyl)-3-methyl-5-(trifluoromethyl)benzene has a molecular weight of 236.18 g/mol, XLogP of 4.14, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluorocyclopropyl)-3-methyl-5-(trifluoromethyl)benzene is sourced from PubChem (CID 155163789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).