2,2-difluoro-3,7-dimethyl-3-(trifluoromethyl)bicyclo[2.2.1]heptane

C10H13F5 — CID 71131732

IUPAC2,2-difluoro-3,7-dimethyl-3-(trifluoromethyl)bicyclo[2.2.1]heptane
SMILESCC1C2CCC1C(C)(C(F)(F)F)C2(F)F
InChIInChI=1S/C10H13F5/c1-5-6-3-4-7(5)9(11,12)8(6,2)10(13,14)15/h5-7H,3-4H2,1-2H3
InChIKeyCQEYDESZIGSRBF-UHFFFAOYSA-N
MW228.20 g/mol
LogP3.87
Rot. Bonds

About 2,2-difluoro-3,7-dimethyl-3-(trifluoromethyl)bicyclo[2.2.1]heptane

2,2-difluoro-3,7-dimethyl-3-(trifluoromethyl)bicyclo[2.2.1]heptane (PubChem CID 71131732) has the molecular formula C10H13F5 and a molecular weight of 228.20 g/mol. Its IUPAC name is 2,2-difluoro-3,7-dimethyl-3-(trifluoromethyl)bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2,2-difluoro-3,7-dimethyl-3-(trifluoromethyl)bicyclo[2.2.1]heptane
PubChem CID71131732
Molecular FormulaC10H13F5
Molecular Weight228.20 g/mol
Exact Mass228.09
IUPAC Name2,2-difluoro-3,7-dimethyl-3-(trifluoromethyl)bicyclo[2.2.1]heptane
SMILESCC1C2CCC1C(C)(C(F)(F)F)C2(F)F
InChIInChI=1S/C10H13F5/c1-5-6-3-4-7(5)9(11,12)8(6,2)10(13,14)15/h5-7H,3-4H2,1-2H3
InChIKeyCQEYDESZIGSRBF-UHFFFAOYSA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3,7-dimethyl-3-(trifluoromethyl)bicyclo[2.2.1]heptane?
The IUPAC name of 2,2-difluoro-3,7-dimethyl-3-(trifluoromethyl)bicyclo[2.2.1]heptane (CID 71131732) is 2,2-difluoro-3,7-dimethyl-3-(trifluoromethyl)bicyclo[2.2.1]heptane.
What is the SMILES notation for 2,2-difluoro-3,7-dimethyl-3-(trifluoromethyl)bicyclo[2.2.1]heptane?
The canonical SMILES for 2,2-difluoro-3,7-dimethyl-3-(trifluoromethyl)bicyclo[2.2.1]heptane is CC1C2CCC1C(C)(C(F)(F)F)C2(F)F.
What is the InChIKey of 2,2-difluoro-3,7-dimethyl-3-(trifluoromethyl)bicyclo[2.2.1]heptane?
The InChIKey is CQEYDESZIGSRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F5/c1-5-6-3-4-7(5)9(11,12)8(6,2)10(13,14)15/h5-7H,3-4H2,1-2H3.
What are the key properties of 2,2-difluoro-3,7-dimethyl-3-(trifluoromethyl)bicyclo[2.2.1]heptane?
2,2-difluoro-3,7-dimethyl-3-(trifluoromethyl)bicyclo[2.2.1]heptane has a molecular weight of 228.20 g/mol, XLogP of 3.87, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3,7-dimethyl-3-(trifluoromethyl)bicyclo[2.2.1]heptane is sourced from PubChem (CID 71131732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).