1,2-difluoro-4-methyl-5-(2-methylcyclopropyl)benzene

C11H12F2 — CID 123984673

IUPAC1,2-difluoro-4-methyl-5-(2-methylcyclopropyl)benzene
SMILESCc1cc(F)c(F)cc1C1CC1C
InChIInChI=1S/C11H12F2/c1-6-3-8(6)9-5-11(13)10(12)4-7(9)2/h4-6,8H,3H2,1-2H3
InChIKeyLWBQVAZSIPXFNA-UHFFFAOYSA-N
MW182.21 g/mol
LogP3.40
Rot. Bonds1

About 1,2-difluoro-4-methyl-5-(2-methylcyclopropyl)benzene

1,2-difluoro-4-methyl-5-(2-methylcyclopropyl)benzene (PubChem CID 123984673) has the molecular formula C11H12F2 and a molecular weight of 182.21 g/mol. Its IUPAC name is 1,2-difluoro-4-methyl-5-(2-methylcyclopropyl)benzene.

Molecular Properties

Compound Name1,2-difluoro-4-methyl-5-(2-methylcyclopropyl)benzene
PubChem CID123984673
Molecular FormulaC11H12F2
Molecular Weight182.21 g/mol
Exact Mass182.09
IUPAC Name1,2-difluoro-4-methyl-5-(2-methylcyclopropyl)benzene
SMILESCc1cc(F)c(F)cc1C1CC1C
InChIInChI=1S/C11H12F2/c1-6-3-8(6)9-5-11(13)10(12)4-7(9)2/h4-6,8H,3H2,1-2H3
InChIKeyLWBQVAZSIPXFNA-UHFFFAOYSA-N
XLogP3.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.21
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,4-dimethyl-1-(2-methylcyclopropyl)benzene
CID 154093761
3-(2,5-difluoro-4-methylphenyl)-2-methylcyclobutan-1-one
CID 81414961
tert-butyl 5-(2-ethylcyclopropyl)-2-fluoro-4-methylbenzoate
CID 153455067
2-[2-(2,6-difluoro-4-methylphenyl)ethynyl]-1,3-dimethyl-5-(2-methylcyclopropyl)benzene
CID 21359850
2-ethyl-5-methyl-3-(2,4,5-trifluorophenyl)pyrrolidine
CID 114058126
5,6-difluoro-1-methyl-1,3-dihydro-2-benzofuran
CID 155422703
(1S)-3-(2,4-difluorophenyl)-N,N,4-trimethylcyclopentan-1-amine
CID 70896872
2-(5-fluoro-2-methylphenyl)cyclobutane-1-carboxylic acid
CID 81008472
3-(2,5-difluoro-4-methylphenyl)azetidine
CID 164663758
1-(2,4-dimethylcyclohexyl)-2,4-dimethylbenzene
CID 23529825
1,2-difluoro-4-(fluoromethyl)-5-methylbenzene
CID 130909757
1-[2-[2-fluoro-4-(2-methylcyclopropyl)phenyl]ethynyl]-2,4,5-trimethylbenzene
CID 21359620

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-methyl-5-(2-methylcyclopropyl)benzene?
The IUPAC name of 1,2-difluoro-4-methyl-5-(2-methylcyclopropyl)benzene (CID 123984673) is 1,2-difluoro-4-methyl-5-(2-methylcyclopropyl)benzene.
What is the SMILES notation for 1,2-difluoro-4-methyl-5-(2-methylcyclopropyl)benzene?
The canonical SMILES for 1,2-difluoro-4-methyl-5-(2-methylcyclopropyl)benzene is Cc1cc(F)c(F)cc1C1CC1C.
What is the InChIKey of 1,2-difluoro-4-methyl-5-(2-methylcyclopropyl)benzene?
The InChIKey is LWBQVAZSIPXFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2/c1-6-3-8(6)9-5-11(13)10(12)4-7(9)2/h4-6,8H,3H2,1-2H3.
What are the key properties of 1,2-difluoro-4-methyl-5-(2-methylcyclopropyl)benzene?
1,2-difluoro-4-methyl-5-(2-methylcyclopropyl)benzene has a molecular weight of 182.21 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-4-methyl-5-(2-methylcyclopropyl)benzene is sourced from PubChem (CID 123984673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).