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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Related Compounds

3-[(2R)-3,3-dimethylbutan-2-yl]-1-methoxy-1-methylcyclobutane
CID 171753314
3,3-dimethylbutan-2-ylcyclopropane
CID 13275215
1-fluoro-1-methyl-3-propan-2-ylcyclopentane
CID 118410768
4-[(2R)-3,3-dimethylbutan-2-yl]piperidine
CID 146228118
4-(3,3-dimethylbutan-2-yl)oxane
CID 58260872
N-[1-(3,3-difluorocyclobutyl)ethyl]-2-methylpropan-2-amine
CID 138569286
3-(3,3-dimethylbutyl)-1-fluoro-1-methylcyclobutane
CID 159021847
(5R)-3-fluoro-3-methyl-1,5-di(propan-2-yl)piperidine
CID 157420520
1-(4,4-difluorocyclohexyl)-2,2-dimethylpropan-1-amine
CID 105146065
tert-butyl 2-(3-fluoro-3-methylcycloheptyl)propanoate
CID 174318634
1-tert-butyl-2,2-dimethyl-3-propan-2-ylbicyclo[1.1.0]butane
CID 91436034
1,1,2,2-tetramethyl-3-(1,1,1-trifluoropropan-2-yl)cyclopropane
CID 121273899

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).