3-(3,3-dimethylbutyl)-1-fluoro-1-methylcyclobutane

C11H21F — CID 159021847

IUPAC3-(3,3-dimethylbutyl)-1-fluoro-1-methylcyclobutane
SMILESCC(C)(C)CCC1CC(C)(F)C1
InChIInChI=1S/C11H21F/c1-10(2,3)6-5-9-7-11(4,12)8-9/h9H,5-8H2,1-4H3
InChIKeyCKZKIAPBVRQRAZ-UHFFFAOYSA-N
MW172.29 g/mol
LogP3.95
Rot. Bonds2

About 3-(3,3-dimethylbutyl)-1-fluoro-1-methylcyclobutane

3-(3,3-dimethylbutyl)-1-fluoro-1-methylcyclobutane (PubChem CID 159021847) has the molecular formula C11H21F and a molecular weight of 172.29 g/mol. Its IUPAC name is 3-(3,3-dimethylbutyl)-1-fluoro-1-methylcyclobutane.

Molecular Properties

Compound Name3-(3,3-dimethylbutyl)-1-fluoro-1-methylcyclobutane
PubChem CID159021847
Molecular FormulaC11H21F
Molecular Weight172.29 g/mol
Exact Mass172.16
IUPAC Name3-(3,3-dimethylbutyl)-1-fluoro-1-methylcyclobutane
SMILESCC(C)(C)CCC1CC(C)(F)C1
InChIInChI=1S/C11H21F/c1-10(2,3)6-5-9-7-11(4,12)8-9/h9H,5-8H2,1-4H3
InChIKeyCKZKIAPBVRQRAZ-UHFFFAOYSA-N
XLogP3.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.29
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylbutyl)-1-fluoro-1-methylcyclobutane?
The IUPAC name of 3-(3,3-dimethylbutyl)-1-fluoro-1-methylcyclobutane (CID 159021847) is 3-(3,3-dimethylbutyl)-1-fluoro-1-methylcyclobutane.
What is the SMILES notation for 3-(3,3-dimethylbutyl)-1-fluoro-1-methylcyclobutane?
The canonical SMILES for 3-(3,3-dimethylbutyl)-1-fluoro-1-methylcyclobutane is CC(C)(C)CCC1CC(C)(F)C1.
What is the InChIKey of 3-(3,3-dimethylbutyl)-1-fluoro-1-methylcyclobutane?
The InChIKey is CKZKIAPBVRQRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F/c1-10(2,3)6-5-9-7-11(4,12)8-9/h9H,5-8H2,1-4H3.
What are the key properties of 3-(3,3-dimethylbutyl)-1-fluoro-1-methylcyclobutane?
3-(3,3-dimethylbutyl)-1-fluoro-1-methylcyclobutane has a molecular weight of 172.29 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylbutyl)-1-fluoro-1-methylcyclobutane is sourced from PubChem (CID 159021847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).