1-[2-(chloromethyl)-1-ethylcyclopropyl]-2-fluorobenzene

C12H14ClF — CID 112680395

IUPAC1-[2-(chloromethyl)-1-ethylcyclopropyl]-2-fluorobenzene
SMILESCCC1(c2ccccc2F)CC1CCl
InChIInChI=1S/C12H14ClF/c1-2-12(7-9(12)8-13)10-5-3-4-6-11(10)14/h3-6,9H,2,7-8H2,1H3
InChIKeyORYQYBOYOFWNFH-UHFFFAOYSA-N
MW212.69 g/mol
LogP3.73
Rot. Bonds3

About 1-[2-(chloromethyl)-1-ethylcyclopropyl]-2-fluorobenzene

1-[2-(chloromethyl)-1-ethylcyclopropyl]-2-fluorobenzene (PubChem CID 112680395) has the molecular formula C12H14ClF and a molecular weight of 212.69 g/mol. Its IUPAC name is 1-[2-(chloromethyl)-1-ethylcyclopropyl]-2-fluorobenzene.

Molecular Properties

Compound Name1-[2-(chloromethyl)-1-ethylcyclopropyl]-2-fluorobenzene
PubChem CID112680395
Molecular FormulaC12H14ClF
Molecular Weight212.69 g/mol
Exact Mass212.08
IUPAC Name1-[2-(chloromethyl)-1-ethylcyclopropyl]-2-fluorobenzene
SMILESCCC1(c2ccccc2F)CC1CCl
InChIInChI=1S/C12H14ClF/c1-2-12(7-9(12)8-13)10-5-3-4-6-11(10)14/h3-6,9H,2,7-8H2,1H3
InChIKeyORYQYBOYOFWNFH-UHFFFAOYSA-N
XLogP3.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.69
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-ethyl-2-(2-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 112680012
2-ethyl-2-(2-fluorophenyl)cyclopropane-1-carbaldehyde
CID 105446072
1-[2-(chloromethyl)-1-ethylcyclopropyl]-4-ethylbenzene
CID 81358554
1-(1,2-diethylcyclopropyl)-2,4-difluorobenzene
CID 135292727
1-[4-ethyl-1-(2-fluorophenyl)cyclohexyl]-2-fluorobenzene
CID 22420584
ethyl 4-ethyl-4-(2-fluorophenyl)pyrrolidine-3-carboxylate
CID 114486764
N-[[1-(2-fluorophenyl)-2-methylcyclopropyl]methyl]-2-methylpropan-2-amine
CID 113404814
N-[[2-(2-fluorophenyl)-2-methylcyclopropyl]methyl]cyclopropanamine
CID 62712798
1-(2-fluorophenyl)-3-propylcyclobutane-1-carboxylic acid
CID 65014142
N-[[1-(2-fluorophenyl)-2-methylcyclopentyl]methyl]propan-1-amine
CID 79679545
1-fluoro-2-[1-(2-fluorophenyl)cyclohexyl]benzene
CID 22420549
N-[[1-(2-fluorophenyl)-3-propylcyclobutyl]methyl]ethanamine
CID 65013584

Frequently Asked Questions

What is the IUPAC name of 1-[2-(chloromethyl)-1-ethylcyclopropyl]-2-fluorobenzene?
The IUPAC name of 1-[2-(chloromethyl)-1-ethylcyclopropyl]-2-fluorobenzene (CID 112680395) is 1-[2-(chloromethyl)-1-ethylcyclopropyl]-2-fluorobenzene.
What is the SMILES notation for 1-[2-(chloromethyl)-1-ethylcyclopropyl]-2-fluorobenzene?
The canonical SMILES for 1-[2-(chloromethyl)-1-ethylcyclopropyl]-2-fluorobenzene is CCC1(c2ccccc2F)CC1CCl.
What is the InChIKey of 1-[2-(chloromethyl)-1-ethylcyclopropyl]-2-fluorobenzene?
The InChIKey is ORYQYBOYOFWNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF/c1-2-12(7-9(12)8-13)10-5-3-4-6-11(10)14/h3-6,9H,2,7-8H2,1H3.
What are the key properties of 1-[2-(chloromethyl)-1-ethylcyclopropyl]-2-fluorobenzene?
1-[2-(chloromethyl)-1-ethylcyclopropyl]-2-fluorobenzene has a molecular weight of 212.69 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(chloromethyl)-1-ethylcyclopropyl]-2-fluorobenzene is sourced from PubChem (CID 112680395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).