2,2-difluoro-6-methylspiro[3.3]heptane;ethane;4-ethyl-1,1-dimethylcyclohexane

C22H44F2 — CID 178126072

IUPAC2,2-difluoro-6-methylspiro[3.3]heptane;ethane;4-ethyl-1,1-dimethylcyclohexane
SMILESCC.CC.CC1CC2(C1)CC(F)(F)C2.CCC1CCC(C)(C)CC1
InChIInChI=1S/C10H20.C8H12F2.2C2H6/c1-4-9-5-7-10(2,3)8-6-9;1-6-2-7(3-6)4-8(9,10)5-7;2*1-2/h9H,4-8H2,1-3H3;6H,2-5H2,1H3;2*1-2H3
InChIKeyCAQHQEZFAFTHJP-UHFFFAOYSA-N
MW346.59 g/mol
LogP8.50
Rot. Bonds1

About 2,2-difluoro-6-methylspiro[3.3]heptane;ethane;4-ethyl-1,1-dimethylcyclohexane

2,2-difluoro-6-methylspiro[3.3]heptane;ethane;4-ethyl-1,1-dimethylcyclohexane (PubChem CID 178126072) has the molecular formula C22H44F2 and a molecular weight of 346.59 g/mol. Its IUPAC name is 2,2-difluoro-6-methylspiro[3.3]heptane;ethane;4-ethyl-1,1-dimethylcyclohexane.

Molecular Properties

Compound Name2,2-difluoro-6-methylspiro[3.3]heptane;ethane;4-ethyl-1,1-dimethylcyclohexane
PubChem CID178126072
Molecular FormulaC22H44F2
Molecular Weight346.59 g/mol
Exact Mass346.34
IUPAC Name2,2-difluoro-6-methylspiro[3.3]heptane;ethane;4-ethyl-1,1-dimethylcyclohexane
SMILESCC.CC.CC1CC2(C1)CC(F)(F)C2.CCC1CCC(C)(C)CC1
InChIInChI=1S/C10H20.C8H12F2.2C2H6/c1-4-9-5-7-10(2,3)8-6-9;1-6-2-7(3-6)4-8(9,10)5-7;2*1-2/h9H,4-8H2,1-3H3;6H,2-5H2,1H3;2*1-2H3
InChIKeyCAQHQEZFAFTHJP-UHFFFAOYSA-N
XLogP8.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.59
LogP ≤ 58.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-6-methylspiro[3.3]heptane;ethane;4-ethyl-1,1-dimethylcyclohexane?
The IUPAC name of 2,2-difluoro-6-methylspiro[3.3]heptane;ethane;4-ethyl-1,1-dimethylcyclohexane (CID 178126072) is 2,2-difluoro-6-methylspiro[3.3]heptane;ethane;4-ethyl-1,1-dimethylcyclohexane.
What is the SMILES notation for 2,2-difluoro-6-methylspiro[3.3]heptane;ethane;4-ethyl-1,1-dimethylcyclohexane?
The canonical SMILES for 2,2-difluoro-6-methylspiro[3.3]heptane;ethane;4-ethyl-1,1-dimethylcyclohexane is CC.CC.CC1CC2(C1)CC(F)(F)C2.CCC1CCC(C)(C)CC1.
What is the InChIKey of 2,2-difluoro-6-methylspiro[3.3]heptane;ethane;4-ethyl-1,1-dimethylcyclohexane?
The InChIKey is CAQHQEZFAFTHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20.C8H12F2.2C2H6/c1-4-9-5-7-10(2,3)8-6-9;1-6-2-7(3-6)4-8(9,10)5-7;2*1-2/h9H,4-8H2,1-3H3;6H,2-5H2,1H3;2*1-2H3.
What are the key properties of 2,2-difluoro-6-methylspiro[3.3]heptane;ethane;4-ethyl-1,1-dimethylcyclohexane?
2,2-difluoro-6-methylspiro[3.3]heptane;ethane;4-ethyl-1,1-dimethylcyclohexane has a molecular weight of 346.59 g/mol, XLogP of 8.50, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-6-methylspiro[3.3]heptane;ethane;4-ethyl-1,1-dimethylcyclohexane is sourced from PubChem (CID 178126072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).