1-[(1-ethylcyclopropyl)methyl]-4-fluorobenzene

C12H15F — CID 177366881

IUPAC1-[(1-ethylcyclopropyl)methyl]-4-fluorobenzene
SMILESCCC1(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C12H15F/c1-2-12(7-8-12)9-10-3-5-11(13)6-4-10/h3-6H,2,7-9H2,1H3
InChIKeyTXSKSDVRXJAMME-UHFFFAOYSA-N
MW178.25 g/mol
LogP3.56
Rot. Bonds3

About 1-[(1-ethylcyclopropyl)methyl]-4-fluorobenzene

1-[(1-ethylcyclopropyl)methyl]-4-fluorobenzene (PubChem CID 177366881) has the molecular formula C12H15F and a molecular weight of 178.25 g/mol. Its IUPAC name is 1-[(1-ethylcyclopropyl)methyl]-4-fluorobenzene.

Molecular Properties

Compound Name1-[(1-ethylcyclopropyl)methyl]-4-fluorobenzene
PubChem CID177366881
Molecular FormulaC12H15F
Molecular Weight178.25 g/mol
Exact Mass178.12
IUPAC Name1-[(1-ethylcyclopropyl)methyl]-4-fluorobenzene
SMILESCCC1(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C12H15F/c1-2-12(7-8-12)9-10-3-5-11(13)6-4-10/h3-6H,2,7-9H2,1H3
InChIKeyTXSKSDVRXJAMME-UHFFFAOYSA-N
XLogP3.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.25
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylcyclopropyl)methyl]-4-fluorobenzene?
The IUPAC name of 1-[(1-ethylcyclopropyl)methyl]-4-fluorobenzene (CID 177366881) is 1-[(1-ethylcyclopropyl)methyl]-4-fluorobenzene.
What is the SMILES notation for 1-[(1-ethylcyclopropyl)methyl]-4-fluorobenzene?
The canonical SMILES for 1-[(1-ethylcyclopropyl)methyl]-4-fluorobenzene is CCC1(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[(1-ethylcyclopropyl)methyl]-4-fluorobenzene?
The InChIKey is TXSKSDVRXJAMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F/c1-2-12(7-8-12)9-10-3-5-11(13)6-4-10/h3-6H,2,7-9H2,1H3.
What are the key properties of 1-[(1-ethylcyclopropyl)methyl]-4-fluorobenzene?
1-[(1-ethylcyclopropyl)methyl]-4-fluorobenzene has a molecular weight of 178.25 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylcyclopropyl)methyl]-4-fluorobenzene is sourced from PubChem (CID 177366881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).