4-[chloro-(1-methylcyclopropyl)methyl]-1-fluoro-2-methylbenzene

C12H14ClF — CID 130553595

IUPAC4-[chloro-(1-methylcyclopropyl)methyl]-1-fluoro-2-methylbenzene
SMILESCc1cc(C(Cl)C2(C)CC2)ccc1F
InChIInChI=1S/C12H14ClF/c1-8-7-9(3-4-10(8)14)11(13)12(2)5-6-12/h3-4,7,11H,5-6H2,1-2H3
InChIKeyWGIHWVRXZJCEKO-UHFFFAOYSA-N
MW212.69 g/mol
LogP4.21
Rot. Bonds2

About 4-[chloro-(1-methylcyclopropyl)methyl]-1-fluoro-2-methylbenzene

4-[chloro-(1-methylcyclopropyl)methyl]-1-fluoro-2-methylbenzene (PubChem CID 130553595) has the molecular formula C12H14ClF and a molecular weight of 212.69 g/mol. Its IUPAC name is 4-[chloro-(1-methylcyclopropyl)methyl]-1-fluoro-2-methylbenzene.

Molecular Properties

Compound Name4-[chloro-(1-methylcyclopropyl)methyl]-1-fluoro-2-methylbenzene
PubChem CID130553595
Molecular FormulaC12H14ClF
Molecular Weight212.69 g/mol
Exact Mass212.08
IUPAC Name4-[chloro-(1-methylcyclopropyl)methyl]-1-fluoro-2-methylbenzene
SMILESCc1cc(C(Cl)C2(C)CC2)ccc1F
InChIInChI=1S/C12H14ClF/c1-8-7-9(3-4-10(8)14)11(13)12(2)5-6-12/h3-4,7,11H,5-6H2,1-2H3
InChIKeyWGIHWVRXZJCEKO-UHFFFAOYSA-N
XLogP4.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.69
LogP ≤ 54.21
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

4-[chloro-(3,4-difluorophenyl)methyl]-1-fluoro-2-methylbenzene
CID 63431448
(4-fluoro-3-methylphenyl)methanediol
CID 45090626
5-[chloro-(4-fluoro-3-methylphenyl)methyl]-1,3-dihydroindol-2-one
CID 63210169
4-[1-chloro-2-(1-methoxycyclobutyl)ethyl]-1-fluoro-2-methylbenzene
CID 103557830
2-[chloro-(4-fluoro-3-methylphenyl)methyl]-1,3,5-trifluorobenzene
CID 55200409
(1S)-1-(4-fluoro-3-methylphenyl)ethanamine
CID 45072346
4-[chloro-(2-fluorophenyl)methyl]-1-fluoro-2-methylbenzene
CID 79747229
4-[bromo-(1-phenylcyclopropyl)methyl]-1-fluoro-2-methylbenzene
CID 79746419
2-[chloro-(4-fluoro-3-methylphenyl)methyl]-5-ethylfuran
CID 79747562
4-[chloro-(4-fluoro-3-methylphenyl)methyl]-1-fluoro-2-(trifluoromethyl)benzene
CID 79721901
4-(1-chloro-2-phenylpropyl)-1-fluoro-2-methylbenzene
CID 114028911
4-[bromo-(2-methylcyclopropyl)methyl]-1-fluoro-2-methylbenzene
CID 79746904

Frequently Asked Questions

What is the IUPAC name of 4-[chloro-(1-methylcyclopropyl)methyl]-1-fluoro-2-methylbenzene?
The IUPAC name of 4-[chloro-(1-methylcyclopropyl)methyl]-1-fluoro-2-methylbenzene (CID 130553595) is 4-[chloro-(1-methylcyclopropyl)methyl]-1-fluoro-2-methylbenzene.
What is the SMILES notation for 4-[chloro-(1-methylcyclopropyl)methyl]-1-fluoro-2-methylbenzene?
The canonical SMILES for 4-[chloro-(1-methylcyclopropyl)methyl]-1-fluoro-2-methylbenzene is Cc1cc(C(Cl)C2(C)CC2)ccc1F.
What is the InChIKey of 4-[chloro-(1-methylcyclopropyl)methyl]-1-fluoro-2-methylbenzene?
The InChIKey is WGIHWVRXZJCEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF/c1-8-7-9(3-4-10(8)14)11(13)12(2)5-6-12/h3-4,7,11H,5-6H2,1-2H3.
What are the key properties of 4-[chloro-(1-methylcyclopropyl)methyl]-1-fluoro-2-methylbenzene?
4-[chloro-(1-methylcyclopropyl)methyl]-1-fluoro-2-methylbenzene has a molecular weight of 212.69 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[chloro-(1-methylcyclopropyl)methyl]-1-fluoro-2-methylbenzene is sourced from PubChem (CID 130553595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).