1-fluoro-1-hex-1-ynyl-2,2-dimethylcyclopropane

C11H17F — CID 6424237

IUPAC1-fluoro-1-hex-1-ynyl-2,2-dimethylcyclopropane
SMILESCCCCC#CC1(F)CC1(C)C
InChIInChI=1S/C11H17F/c1-4-5-6-7-8-11(12)9-10(11,2)3/h4-6,9H2,1-3H3
InChIKeyCZFCMVVMOZCJEE-UHFFFAOYSA-N
MW168.25 g/mol
LogP3.32
Rot. Bonds2

About 1-fluoro-1-hex-1-ynyl-2,2-dimethylcyclopropane

1-fluoro-1-hex-1-ynyl-2,2-dimethylcyclopropane (PubChem CID 6424237) has the molecular formula C11H17F and a molecular weight of 168.25 g/mol. Its IUPAC name is 1-fluoro-1-hex-1-ynyl-2,2-dimethylcyclopropane.

Molecular Properties

Compound Name1-fluoro-1-hex-1-ynyl-2,2-dimethylcyclopropane
PubChem CID6424237
Molecular FormulaC11H17F
Molecular Weight168.25 g/mol
Exact Mass168.13
IUPAC Name1-fluoro-1-hex-1-ynyl-2,2-dimethylcyclopropane
SMILESCCCCC#CC1(F)CC1(C)C
InChIInChI=1S/C11H17F/c1-4-5-6-7-8-11(12)9-10(11,2)3/h4-6,9H2,1-3H3
InChIKeyCZFCMVVMOZCJEE-UHFFFAOYSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.25
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-1-hex-1-ynyl-2,2-dimethylcyclopropane?
The IUPAC name of 1-fluoro-1-hex-1-ynyl-2,2-dimethylcyclopropane (CID 6424237) is 1-fluoro-1-hex-1-ynyl-2,2-dimethylcyclopropane.
What is the SMILES notation for 1-fluoro-1-hex-1-ynyl-2,2-dimethylcyclopropane?
The canonical SMILES for 1-fluoro-1-hex-1-ynyl-2,2-dimethylcyclopropane is CCCCC#CC1(F)CC1(C)C.
What is the InChIKey of 1-fluoro-1-hex-1-ynyl-2,2-dimethylcyclopropane?
The InChIKey is CZFCMVVMOZCJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F/c1-4-5-6-7-8-11(12)9-10(11,2)3/h4-6,9H2,1-3H3.
What are the key properties of 1-fluoro-1-hex-1-ynyl-2,2-dimethylcyclopropane?
1-fluoro-1-hex-1-ynyl-2,2-dimethylcyclopropane has a molecular weight of 168.25 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-1-hex-1-ynyl-2,2-dimethylcyclopropane is sourced from PubChem (CID 6424237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).