6-(1,1-difluoroethyl)-2,2-difluoro-6-propan-2-ylspiro[3.3]heptane

C12H18F4 — CID 174262930

IUPAC6-(1,1-difluoroethyl)-2,2-difluoro-6-propan-2-ylspiro[3.3]heptane
SMILESCC(C)C1(C(C)(F)F)CC2(CC(F)(F)C2)C1
InChIInChI=1S/C12H18F4/c1-8(2)11(9(3,13)14)4-10(5-11)6-12(15,16)7-10/h8H,4-7H2,1-3H3
InChIKeyNOJKXGITEZNXJX-UHFFFAOYSA-N
MW238.27 g/mol
LogP4.49
Rot. Bonds2

About 6-(1,1-difluoroethyl)-2,2-difluoro-6-propan-2-ylspiro[3.3]heptane

6-(1,1-difluoroethyl)-2,2-difluoro-6-propan-2-ylspiro[3.3]heptane (PubChem CID 174262930) has the molecular formula C12H18F4 and a molecular weight of 238.27 g/mol. Its IUPAC name is 6-(1,1-difluoroethyl)-2,2-difluoro-6-propan-2-ylspiro[3.3]heptane.

Molecular Properties

Compound Name6-(1,1-difluoroethyl)-2,2-difluoro-6-propan-2-ylspiro[3.3]heptane
PubChem CID174262930
Molecular FormulaC12H18F4
Molecular Weight238.27 g/mol
Exact Mass238.13
IUPAC Name6-(1,1-difluoroethyl)-2,2-difluoro-6-propan-2-ylspiro[3.3]heptane
SMILESCC(C)C1(C(C)(F)F)CC2(CC(F)(F)C2)C1
InChIInChI=1S/C12H18F4/c1-8(2)11(9(3,13)14)4-10(5-11)6-12(15,16)7-10/h8H,4-7H2,1-3H3
InChIKeyNOJKXGITEZNXJX-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 6-(1,1-difluoroethyl)-2,2-difluoro-6-propan-2-ylspiro[3.3]heptane?
The IUPAC name of 6-(1,1-difluoroethyl)-2,2-difluoro-6-propan-2-ylspiro[3.3]heptane (CID 174262930) is 6-(1,1-difluoroethyl)-2,2-difluoro-6-propan-2-ylspiro[3.3]heptane.
What is the SMILES notation for 6-(1,1-difluoroethyl)-2,2-difluoro-6-propan-2-ylspiro[3.3]heptane?
The canonical SMILES for 6-(1,1-difluoroethyl)-2,2-difluoro-6-propan-2-ylspiro[3.3]heptane is CC(C)C1(C(C)(F)F)CC2(CC(F)(F)C2)C1.
What is the InChIKey of 6-(1,1-difluoroethyl)-2,2-difluoro-6-propan-2-ylspiro[3.3]heptane?
The InChIKey is NOJKXGITEZNXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F4/c1-8(2)11(9(3,13)14)4-10(5-11)6-12(15,16)7-10/h8H,4-7H2,1-3H3.
What are the key properties of 6-(1,1-difluoroethyl)-2,2-difluoro-6-propan-2-ylspiro[3.3]heptane?
6-(1,1-difluoroethyl)-2,2-difluoro-6-propan-2-ylspiro[3.3]heptane has a molecular weight of 238.27 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-difluoroethyl)-2,2-difluoro-6-propan-2-ylspiro[3.3]heptane is sourced from PubChem (CID 174262930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).