4-tert-butyl-1,1-difluoro-3-methylcyclohexane

C11H20F2 — CID 21027513

IUPAC4-tert-butyl-1,1-difluoro-3-methylcyclohexane
SMILESCC1CC(F)(F)CCC1C(C)(C)C
InChIInChI=1S/C11H20F2/c1-8-7-11(12,13)6-5-9(8)10(2,3)4/h8-9H,5-7H2,1-4H3
InChIKeyWJLULTXFOUIQOL-UHFFFAOYSA-N
MW190.28 g/mol
LogP4.10
Rot. Bonds

About 4-tert-butyl-1,1-difluoro-3-methylcyclohexane

4-tert-butyl-1,1-difluoro-3-methylcyclohexane (PubChem CID 21027513) has the molecular formula C11H20F2 and a molecular weight of 190.28 g/mol. Its IUPAC name is 4-tert-butyl-1,1-difluoro-3-methylcyclohexane.

Molecular Properties

Compound Name4-tert-butyl-1,1-difluoro-3-methylcyclohexane
PubChem CID21027513
Molecular FormulaC11H20F2
Molecular Weight190.28 g/mol
Exact Mass190.15
IUPAC Name4-tert-butyl-1,1-difluoro-3-methylcyclohexane
SMILESCC1CC(F)(F)CCC1C(C)(C)C
InChIInChI=1S/C11H20F2/c1-8-7-11(12,13)6-5-9(8)10(2,3)4/h8-9H,5-7H2,1-4H3
InChIKeyWJLULTXFOUIQOL-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.28
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1,1-difluoro-3-methylcyclohexane?
The IUPAC name of 4-tert-butyl-1,1-difluoro-3-methylcyclohexane (CID 21027513) is 4-tert-butyl-1,1-difluoro-3-methylcyclohexane.
What is the SMILES notation for 4-tert-butyl-1,1-difluoro-3-methylcyclohexane?
The canonical SMILES for 4-tert-butyl-1,1-difluoro-3-methylcyclohexane is CC1CC(F)(F)CCC1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-1,1-difluoro-3-methylcyclohexane?
The InChIKey is WJLULTXFOUIQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2/c1-8-7-11(12,13)6-5-9(8)10(2,3)4/h8-9H,5-7H2,1-4H3.
What are the key properties of 4-tert-butyl-1,1-difluoro-3-methylcyclohexane?
4-tert-butyl-1,1-difluoro-3-methylcyclohexane has a molecular weight of 190.28 g/mol, XLogP of 4.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1,1-difluoro-3-methylcyclohexane is sourced from PubChem (CID 21027513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).