3-(3,3-dimethylbutan-2-yl)-1-fluoro-1-methylcyclobutane

C11H21F — CID 170179238

IUPAC3-(3,3-dimethylbutan-2-yl)-1-fluoro-1-methylcyclobutane
SMILESCC(C1CC(C)(F)C1)C(C)(C)C
InChIInChI=1S/C11H21F/c1-8(10(2,3)4)9-6-11(5,12)7-9/h8-9H,6-7H2,1-5H3
InChIKeyMSALGPSIOPTQSS-UHFFFAOYSA-N
MW172.29 g/mol
LogP3.81
Rot. Bonds1

About 3-(3,3-dimethylbutan-2-yl)-1-fluoro-1-methylcyclobutane

3-(3,3-dimethylbutan-2-yl)-1-fluoro-1-methylcyclobutane (PubChem CID 170179238) has the molecular formula C11H21F and a molecular weight of 172.29 g/mol. Its IUPAC name is 3-(3,3-dimethylbutan-2-yl)-1-fluoro-1-methylcyclobutane.

Molecular Properties

Compound Name3-(3,3-dimethylbutan-2-yl)-1-fluoro-1-methylcyclobutane
PubChem CID170179238
Molecular FormulaC11H21F
Molecular Weight172.29 g/mol
Exact Mass172.16
IUPAC Name3-(3,3-dimethylbutan-2-yl)-1-fluoro-1-methylcyclobutane
SMILESCC(C1CC(C)(F)C1)C(C)(C)C
InChIInChI=1S/C11H21F/c1-8(10(2,3)4)9-6-11(5,12)7-9/h8-9H,6-7H2,1-5H3
InChIKeyMSALGPSIOPTQSS-UHFFFAOYSA-N
XLogP3.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.29
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylbutan-2-yl)-1-fluoro-1-methylcyclobutane?
The IUPAC name of 3-(3,3-dimethylbutan-2-yl)-1-fluoro-1-methylcyclobutane (CID 170179238) is 3-(3,3-dimethylbutan-2-yl)-1-fluoro-1-methylcyclobutane.
What is the SMILES notation for 3-(3,3-dimethylbutan-2-yl)-1-fluoro-1-methylcyclobutane?
The canonical SMILES for 3-(3,3-dimethylbutan-2-yl)-1-fluoro-1-methylcyclobutane is CC(C1CC(C)(F)C1)C(C)(C)C.
What is the InChIKey of 3-(3,3-dimethylbutan-2-yl)-1-fluoro-1-methylcyclobutane?
The InChIKey is MSALGPSIOPTQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F/c1-8(10(2,3)4)9-6-11(5,12)7-9/h8-9H,6-7H2,1-5H3.
What are the key properties of 3-(3,3-dimethylbutan-2-yl)-1-fluoro-1-methylcyclobutane?
3-(3,3-dimethylbutan-2-yl)-1-fluoro-1-methylcyclobutane has a molecular weight of 172.29 g/mol, XLogP of 3.81, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylbutan-2-yl)-1-fluoro-1-methylcyclobutane is sourced from PubChem (CID 170179238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).