2-tert-butyl-1,1-difluorocyclobutane;3-tert-butyl-1,1-difluorocyclobutane;2-tert-butyl-1,1-difluorocyclopentane;3-tert-butyl-1,1-difluorocyclopentane;2-tert-butyl-1,1-difluorocyclopropane

C41H72F10 — CID 158670933

IUPAC2-tert-butyl-1,1-difluorocyclobutane;3-tert-butyl-1,1-difluorocyclobutane;2-tert-butyl-1,1-difluorocyclopentane;3-tert-butyl-1,1-difluorocyclopentane;2-tert-butyl-1,1-difluorocyclopropane
SMILESCC(C)(C)C1CC(F)(F)C1.CC(C)(C)C1CC1(F)F.CC(C)(C)C1CCC(F)(F)C1.CC(C)(C)C1CCC1(F)F.CC(C)(C)C1CCCC1(F)F
InChIInChI=1S/2C9H16F2.2C8H14F2.C7H12F2/c1-8(2,3)7-4-5-9(10,11)6-7;1-8(2,3)7-5-4-6-9(7,10)11;1-7(2,3)6-4-8(9,10)5-6;1-7(2,3)6-4-5-8(6,9)10;1-6(2,3)5-4-7(5,8)9/h2*7H,4-6H2,1-3H3;2*6H,4-5H2,1-3H3;5H,4H2,1-3H3
InChIKeyIDYBOKMGBLCPRZ-UHFFFAOYSA-N
MW755.01 g/mol
LogP15.78
Rot. Bonds

About 2-tert-butyl-1,1-difluorocyclobutane;3-tert-butyl-1,1-difluorocyclobutane;2-tert-butyl-1,1-difluorocyclopentane;3-tert-butyl-1,1-difluorocyclopentane;2-tert-butyl-1,1-difluorocyclopropane

2-tert-butyl-1,1-difluorocyclobutane;3-tert-butyl-1,1-difluorocyclobutane;2-tert-butyl-1,1-difluorocyclopentane;3-tert-butyl-1,1-difluorocyclopentane;2-tert-butyl-1,1-difluorocyclopropane (PubChem CID 158670933) has the molecular formula C41H72F10 and a molecular weight of 755.01 g/mol. Its IUPAC name is 2-tert-butyl-1,1-difluorocyclobutane;3-tert-butyl-1,1-difluorocyclobutane;2-tert-butyl-1,1-difluorocyclopentane;3-tert-butyl-1,1-difluorocyclopentane;2-tert-butyl-1,1-difluorocyclopropane.

Molecular Properties

Compound Name2-tert-butyl-1,1-difluorocyclobutane;3-tert-butyl-1,1-difluorocyclobutane;2-tert-butyl-1,1-difluorocyclopentane;3-tert-butyl-1,1-difluorocyclopentane;2-tert-butyl-1,1-difluorocyclopropane
PubChem CID158670933
Molecular FormulaC41H72F10
Molecular Weight755.01 g/mol
Exact Mass754.55
IUPAC Name2-tert-butyl-1,1-difluorocyclobutane;3-tert-butyl-1,1-difluorocyclobutane;2-tert-butyl-1,1-difluorocyclopentane;3-tert-butyl-1,1-difluorocyclopentane;2-tert-butyl-1,1-difluorocyclopropane
SMILESCC(C)(C)C1CC(F)(F)C1.CC(C)(C)C1CC1(F)F.CC(C)(C)C1CCC(F)(F)C1.CC(C)(C)C1CCC1(F)F.CC(C)(C)C1CCCC1(F)F
InChIInChI=1S/2C9H16F2.2C8H14F2.C7H12F2/c1-8(2,3)7-4-5-9(10,11)6-7;1-8(2,3)7-5-4-6-9(7,10)11;1-7(2,3)6-4-8(9,10)5-6;1-7(2,3)6-4-5-8(6,9)10;1-6(2,3)5-4-7(5,8)9/h2*7H,4-6H2,1-3H3;2*6H,4-5H2,1-3H3;5H,4H2,1-3H3
InChIKeyIDYBOKMGBLCPRZ-UHFFFAOYSA-N
XLogP15.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.01
LogP ≤ 515.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-tert-butyl-1,1-difluorocyclobutane;3-tert-butyl-1,1-difluorocyclobutane;2-tert-butyl-1,1-difluorocyclopentane;3-tert-butyl-1,1-difluorocyclopentane;2-tert-butyl-1,1-difluorocyclopropane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,1-difluorocyclobutane;3-tert-butyl-1,1-difluorocyclobutane;2-tert-butyl-1,1-difluorocyclopentane;3-tert-butyl-1,1-difluorocyclopentane;2-tert-butyl-1,1-difluorocyclopropane?
The IUPAC name of 2-tert-butyl-1,1-difluorocyclobutane;3-tert-butyl-1,1-difluorocyclobutane;2-tert-butyl-1,1-difluorocyclopentane;3-tert-butyl-1,1-difluorocyclopentane;2-tert-butyl-1,1-difluorocyclopropane (CID 158670933) is 2-tert-butyl-1,1-difluorocyclobutane;3-tert-butyl-1,1-difluorocyclobutane;2-tert-butyl-1,1-difluorocyclopentane;3-tert-butyl-1,1-difluorocyclopentane;2-tert-butyl-1,1-difluorocyclopropane.
What is the SMILES notation for 2-tert-butyl-1,1-difluorocyclobutane;3-tert-butyl-1,1-difluorocyclobutane;2-tert-butyl-1,1-difluorocyclopentane;3-tert-butyl-1,1-difluorocyclopentane;2-tert-butyl-1,1-difluorocyclopropane?
The canonical SMILES for 2-tert-butyl-1,1-difluorocyclobutane;3-tert-butyl-1,1-difluorocyclobutane;2-tert-butyl-1,1-difluorocyclopentane;3-tert-butyl-1,1-difluorocyclopentane;2-tert-butyl-1,1-difluorocyclopropane is CC(C)(C)C1CC(F)(F)C1.CC(C)(C)C1CC1(F)F.CC(C)(C)C1CCC(F)(F)C1.CC(C)(C)C1CCC1(F)F.CC(C)(C)C1CCCC1(F)F.
What is the InChIKey of 2-tert-butyl-1,1-difluorocyclobutane;3-tert-butyl-1,1-difluorocyclobutane;2-tert-butyl-1,1-difluorocyclopentane;3-tert-butyl-1,1-difluorocyclopentane;2-tert-butyl-1,1-difluorocyclopropane?
The InChIKey is IDYBOKMGBLCPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H16F2.2C8H14F2.C7H12F2/c1-8(2,3)7-4-5-9(10,11)6-7;1-8(2,3)7-5-4-6-9(7,10)11;1-7(2,3)6-4-8(9,10)5-6;1-7(2,3)6-4-5-8(6,9)10;1-6(2,3)5-4-7(5,8)9/h2*7H,4-6H2,1-3H3;2*6H,4-5H2,1-3H3;5H,4H2,1-3H3.
What are the key properties of 2-tert-butyl-1,1-difluorocyclobutane;3-tert-butyl-1,1-difluorocyclobutane;2-tert-butyl-1,1-difluorocyclopentane;3-tert-butyl-1,1-difluorocyclopentane;2-tert-butyl-1,1-difluorocyclopropane?
2-tert-butyl-1,1-difluorocyclobutane;3-tert-butyl-1,1-difluorocyclobutane;2-tert-butyl-1,1-difluorocyclopentane;3-tert-butyl-1,1-difluorocyclopentane;2-tert-butyl-1,1-difluorocyclopropane has a molecular weight of 755.01 g/mol, XLogP of 15.78, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,1-difluorocyclobutane;3-tert-butyl-1,1-difluorocyclobutane;2-tert-butyl-1,1-difluorocyclopentane;3-tert-butyl-1,1-difluorocyclopentane;2-tert-butyl-1,1-difluorocyclopropane is sourced from PubChem (CID 158670933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).