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

C9H11F5 — CID 20770044

IUPAC2,2-difluoro-3-methyl-3-(trifluoromethyl)bicyclo[2.2.1]heptane
SMILESCC1(C(F)(F)F)C2CCC(C2)C1(F)F
InChIInChI=1S/C9H11F5/c1-7(9(12,13)14)5-2-3-6(4-5)8(7,10)11/h5-6H,2-4H2,1H3
InChIKeyDYYJPUMHBTWQPG-UHFFFAOYSA-N
MW214.18 g/mol
LogP3.62
Rot. Bonds

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

2,2-difluoro-3-methyl-3-(trifluoromethyl)bicyclo[2.2.1]heptane (PubChem CID 20770044) has the molecular formula C9H11F5 and a molecular weight of 214.18 g/mol. Its IUPAC name is 2,2-difluoro-3-methyl-3-(trifluoromethyl)bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2,2-difluoro-3-methyl-3-(trifluoromethyl)bicyclo[2.2.1]heptane
PubChem CID20770044
Molecular FormulaC9H11F5
Molecular Weight214.18 g/mol
Exact Mass214.08
IUPAC Name2,2-difluoro-3-methyl-3-(trifluoromethyl)bicyclo[2.2.1]heptane
SMILESCC1(C(F)(F)F)C2CCC(C2)C1(F)F
InChIInChI=1S/C9H11F5/c1-7(9(12,13)14)5-2-3-6(4-5)8(7,10)11/h5-6H,2-4H2,1H3
InChIKeyDYYJPUMHBTWQPG-UHFFFAOYSA-N
XLogP3.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 53.62
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-methyl-3-(trifluoromethyl)bicyclo[2.2.1]heptane?
The IUPAC name of 2,2-difluoro-3-methyl-3-(trifluoromethyl)bicyclo[2.2.1]heptane (CID 20770044) is 2,2-difluoro-3-methyl-3-(trifluoromethyl)bicyclo[2.2.1]heptane.
What is the SMILES notation for 2,2-difluoro-3-methyl-3-(trifluoromethyl)bicyclo[2.2.1]heptane?
The canonical SMILES for 2,2-difluoro-3-methyl-3-(trifluoromethyl)bicyclo[2.2.1]heptane is CC1(C(F)(F)F)C2CCC(C2)C1(F)F.
What is the InChIKey of 2,2-difluoro-3-methyl-3-(trifluoromethyl)bicyclo[2.2.1]heptane?
The InChIKey is DYYJPUMHBTWQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F5/c1-7(9(12,13)14)5-2-3-6(4-5)8(7,10)11/h5-6H,2-4H2,1H3.
What are the key properties of 2,2-difluoro-3-methyl-3-(trifluoromethyl)bicyclo[2.2.1]heptane?
2,2-difluoro-3-methyl-3-(trifluoromethyl)bicyclo[2.2.1]heptane has a molecular weight of 214.18 g/mol, XLogP of 3.62, 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-methyl-3-(trifluoromethyl)bicyclo[2.2.1]heptane is sourced from PubChem (CID 20770044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).