1-(2,2-dimethylheptyl)-1-fluorocyclopropane

C12H23F — CID 167068470

IUPAC1-(2,2-dimethylheptyl)-1-fluorocyclopropane
SMILESCCCCCC(C)(C)CC1(F)CC1
InChIInChI=1S/C12H23F/c1-4-5-6-7-11(2,3)10-12(13)8-9-12/h4-10H2,1-3H3
InChIKeyDBAPEPOJYPLQMG-UHFFFAOYSA-N
MW186.31 g/mol
LogP4.49
Rot. Bonds6

About 1-(2,2-dimethylheptyl)-1-fluorocyclopropane

1-(2,2-dimethylheptyl)-1-fluorocyclopropane (PubChem CID 167068470) has the molecular formula C12H23F and a molecular weight of 186.31 g/mol. Its IUPAC name is 1-(2,2-dimethylheptyl)-1-fluorocyclopropane.

Molecular Properties

Compound Name1-(2,2-dimethylheptyl)-1-fluorocyclopropane
PubChem CID167068470
Molecular FormulaC12H23F
Molecular Weight186.31 g/mol
Exact Mass186.18
IUPAC Name1-(2,2-dimethylheptyl)-1-fluorocyclopropane
SMILESCCCCCC(C)(C)CC1(F)CC1
InChIInChI=1S/C12H23F/c1-4-5-6-7-11(2,3)10-12(13)8-9-12/h4-10H2,1-3H3
InChIKeyDBAPEPOJYPLQMG-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.31
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylheptyl)-1-fluorocyclopropane?
The IUPAC name of 1-(2,2-dimethylheptyl)-1-fluorocyclopropane (CID 167068470) is 1-(2,2-dimethylheptyl)-1-fluorocyclopropane.
What is the SMILES notation for 1-(2,2-dimethylheptyl)-1-fluorocyclopropane?
The canonical SMILES for 1-(2,2-dimethylheptyl)-1-fluorocyclopropane is CCCCCC(C)(C)CC1(F)CC1.
What is the InChIKey of 1-(2,2-dimethylheptyl)-1-fluorocyclopropane?
The InChIKey is DBAPEPOJYPLQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F/c1-4-5-6-7-11(2,3)10-12(13)8-9-12/h4-10H2,1-3H3.
What are the key properties of 1-(2,2-dimethylheptyl)-1-fluorocyclopropane?
1-(2,2-dimethylheptyl)-1-fluorocyclopropane has a molecular weight of 186.31 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylheptyl)-1-fluorocyclopropane is sourced from PubChem (CID 167068470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).