3-tert-butyl-1,1-difluorocyclobutane;1-fluoro-3-methylcyclobutane;propane

C16H31F3 — CID 161305433

IUPAC3-tert-butyl-1,1-difluorocyclobutane;1-fluoro-3-methylcyclobutane;propane
SMILESCC(C)(C)C1CC(F)(F)C1.CC1CC(F)C1.CCC
InChIInChI=1S/C8H14F2.C5H9F.C3H8/c1-7(2,3)6-4-8(9,10)5-6;1-4-2-5(6)3-4;1-3-2/h6H,4-5H2,1-3H3;4-5H,2-3H2,1H3;3H2,1-2H3
InChIKeyVIEJQIRPTNHERF-UHFFFAOYSA-N
MW280.42 g/mol
LogP6.25
Rot. Bonds

About 3-tert-butyl-1,1-difluorocyclobutane;1-fluoro-3-methylcyclobutane;propane

3-tert-butyl-1,1-difluorocyclobutane;1-fluoro-3-methylcyclobutane;propane (PubChem CID 161305433) has the molecular formula C16H31F3 and a molecular weight of 280.42 g/mol. Its IUPAC name is 3-tert-butyl-1,1-difluorocyclobutane;1-fluoro-3-methylcyclobutane;propane.

Molecular Properties

Compound Name3-tert-butyl-1,1-difluorocyclobutane;1-fluoro-3-methylcyclobutane;propane
PubChem CID161305433
Molecular FormulaC16H31F3
Molecular Weight280.42 g/mol
Exact Mass280.24
IUPAC Name3-tert-butyl-1,1-difluorocyclobutane;1-fluoro-3-methylcyclobutane;propane
SMILESCC(C)(C)C1CC(F)(F)C1.CC1CC(F)C1.CCC
InChIInChI=1S/C8H14F2.C5H9F.C3H8/c1-7(2,3)6-4-8(9,10)5-6;1-4-2-5(6)3-4;1-3-2/h6H,4-5H2,1-3H3;4-5H,2-3H2,1H3;3H2,1-2H3
InChIKeyVIEJQIRPTNHERF-UHFFFAOYSA-N
XLogP6.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.42
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-tert-butyl-3-methylcyclobutane;ethane;propane
CID 143337581
1,1-difluoro-3-(3-methylpentan-3-yl)cyclobutane
CID 146177848
1,1-difluoro-3-(2-methylpentan-2-yl)cyclobutane
CID 126762633
3-tert-butyl-1,1-difluorocyclobutane;3-tert-butyl-3-methyloxetane;4-tert-butyloxane;3-tert-butyloxetane;3-tert-butyloxolane;1,1-difluoro-3,3-dimethylbutane;1,1-diisocyano-3-methylcyclobutane;2,2-dimethylbutane;ethane;bis(1-fluoro-3-methylcyclobutane);bis(1-isocyano-1,3-dimethylcyclobutane)
CID 158607659
3-tert-butyl-1,1-difluorocyclopentane
CID 59458655
3-tert-butyl-1,1-difluorocyclobutane;1-tert-butyl-2-methoxycyclopropane;1-tert-butyl-3-methylcyclobutane;3-tert-butyl-1-methylpyrrolidine
CID 163737827
3-ethyl-1,1-difluoro-5-(trifluoromethyl)cyclohexane
CID 121407311
3-ethyl-1,1-difluoro-5-methylcyclohexane
CID 121407308
4-tert-butyl-1,1-difluorocyclohexane;3-tert-butyl-1,1-difluorocyclopentane
CID 158523414
1-tert-butyl-3-methylcyclohexane;propane
CID 177337386
1-tert-butyl-4-methylcyclohexane;methane;propane
CID 143180691
2,6-ditert-butylspiro[3.3]heptane
CID 140647096

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1,1-difluorocyclobutane;1-fluoro-3-methylcyclobutane;propane?
The IUPAC name of 3-tert-butyl-1,1-difluorocyclobutane;1-fluoro-3-methylcyclobutane;propane (CID 161305433) is 3-tert-butyl-1,1-difluorocyclobutane;1-fluoro-3-methylcyclobutane;propane.
What is the SMILES notation for 3-tert-butyl-1,1-difluorocyclobutane;1-fluoro-3-methylcyclobutane;propane?
The canonical SMILES for 3-tert-butyl-1,1-difluorocyclobutane;1-fluoro-3-methylcyclobutane;propane is CC(C)(C)C1CC(F)(F)C1.CC1CC(F)C1.CCC.
What is the InChIKey of 3-tert-butyl-1,1-difluorocyclobutane;1-fluoro-3-methylcyclobutane;propane?
The InChIKey is VIEJQIRPTNHERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2.C5H9F.C3H8/c1-7(2,3)6-4-8(9,10)5-6;1-4-2-5(6)3-4;1-3-2/h6H,4-5H2,1-3H3;4-5H,2-3H2,1H3;3H2,1-2H3.
What are the key properties of 3-tert-butyl-1,1-difluorocyclobutane;1-fluoro-3-methylcyclobutane;propane?
3-tert-butyl-1,1-difluorocyclobutane;1-fluoro-3-methylcyclobutane;propane has a molecular weight of 280.42 g/mol, XLogP of 6.25, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1,1-difluorocyclobutane;1-fluoro-3-methylcyclobutane;propane is sourced from PubChem (CID 161305433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).