1-[1-(fluoromethyl)cyclopropyl]-2-methylbenzene

C11H13F — CID 84716994

IUPAC1-[1-(fluoromethyl)cyclopropyl]-2-methylbenzene
SMILESCc1ccccc1C1(CF)CC1
InChIInChI=1S/C11H13F/c1-9-4-2-3-5-10(9)11(8-12)6-7-11/h2-5H,6-8H2,1H3
InChIKeyJVOAAURHOSQTDX-UHFFFAOYSA-N
MW164.22 g/mol
LogP3.00
Rot. Bonds2

About 1-[1-(fluoromethyl)cyclopropyl]-2-methylbenzene

1-[1-(fluoromethyl)cyclopropyl]-2-methylbenzene (PubChem CID 84716994) has the molecular formula C11H13F and a molecular weight of 164.22 g/mol. Its IUPAC name is 1-[1-(fluoromethyl)cyclopropyl]-2-methylbenzene.

Molecular Properties

Compound Name1-[1-(fluoromethyl)cyclopropyl]-2-methylbenzene
PubChem CID84716994
Molecular FormulaC11H13F
Molecular Weight164.22 g/mol
Exact Mass164.10
IUPAC Name1-[1-(fluoromethyl)cyclopropyl]-2-methylbenzene
SMILESCc1ccccc1C1(CF)CC1
InChIInChI=1S/C11H13F/c1-9-4-2-3-5-10(9)11(8-12)6-7-11/h2-5H,6-8H2,1H3
InChIKeyJVOAAURHOSQTDX-UHFFFAOYSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.22
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

N-[[1-(2-methylphenyl)cyclopropyl]methyl]propan-1-amine
CID 62594744
1-[1-(isocyanatomethyl)cyclopropyl]-2-methylbenzene
CID 82075290
2-[1-(fluoromethyl)cyclohexyl]phenol
CID 84722739
N-methyl-1-[1-(2-methylphenyl)cycloheptyl]methanamine
CID 62596949
2-[1-(2-methylphenyl)cyclohexyl]ethanamine
CID 82079125
1,1-diethyl-2-[[1-(2-methylphenyl)cyclopropyl]methyl]guanidine;hydroiodide
CID 111098384
1-[1-(fluoromethyl)cyclohexyl]-2-methoxybenzene
CID 84725137
[2-(2-methylphenyl)spiro[3.4]octan-2-yl]methanamine
CID 65002721
2-[1-(2-methylphenyl)cyclobutyl]acetic acid
CID 83687028
CID 175377072
CID 175377072
N-[[1-(2-methylphenyl)cycloheptyl]methyl]propan-2-amine
CID 55195742
2-methyl-1-[[1-(2-methylphenyl)cyclopropyl]methyl]guanidine;hydroiodide
CID 110928186

Frequently Asked Questions

What is the IUPAC name of 1-[1-(fluoromethyl)cyclopropyl]-2-methylbenzene?
The IUPAC name of 1-[1-(fluoromethyl)cyclopropyl]-2-methylbenzene (CID 84716994) is 1-[1-(fluoromethyl)cyclopropyl]-2-methylbenzene.
What is the SMILES notation for 1-[1-(fluoromethyl)cyclopropyl]-2-methylbenzene?
The canonical SMILES for 1-[1-(fluoromethyl)cyclopropyl]-2-methylbenzene is Cc1ccccc1C1(CF)CC1.
What is the InChIKey of 1-[1-(fluoromethyl)cyclopropyl]-2-methylbenzene?
The InChIKey is JVOAAURHOSQTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F/c1-9-4-2-3-5-10(9)11(8-12)6-7-11/h2-5H,6-8H2,1H3.
What are the key properties of 1-[1-(fluoromethyl)cyclopropyl]-2-methylbenzene?
1-[1-(fluoromethyl)cyclopropyl]-2-methylbenzene has a molecular weight of 164.22 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(fluoromethyl)cyclopropyl]-2-methylbenzene is sourced from PubChem (CID 84716994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).