1-(difluoromethyl)-4-methylbicyclo[2.2.2]octane

C10H16F2 — CID 122462461

IUPAC1-(difluoromethyl)-4-methylbicyclo[2.2.2]octane
SMILESCC12CCC(C(F)F)(CC1)CC2
InChIInChI=1S/C10H16F2/c1-9-2-5-10(6-3-9,7-4-9)8(11)12/h8H,2-7H2,1H3
InChIKeySFHKLQYIZHWFGD-UHFFFAOYSA-N
MW174.23 g/mol
LogP3.61
Rot. Bonds1

About 1-(difluoromethyl)-4-methylbicyclo[2.2.2]octane

1-(difluoromethyl)-4-methylbicyclo[2.2.2]octane (PubChem CID 122462461) has the molecular formula C10H16F2 and a molecular weight of 174.23 g/mol. Its IUPAC name is 1-(difluoromethyl)-4-methylbicyclo[2.2.2]octane.

Molecular Properties

Compound Name1-(difluoromethyl)-4-methylbicyclo[2.2.2]octane
PubChem CID122462461
Molecular FormulaC10H16F2
Molecular Weight174.23 g/mol
Exact Mass174.12
IUPAC Name1-(difluoromethyl)-4-methylbicyclo[2.2.2]octane
SMILESCC12CCC(C(F)F)(CC1)CC2
InChIInChI=1S/C10H16F2/c1-9-2-5-10(6-3-9,7-4-9)8(11)12/h8H,2-7H2,1H3
InChIKeySFHKLQYIZHWFGD-UHFFFAOYSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.23
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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(4-methyl-1-bicyclo[2.2.2]octanyl) hypofluorite
CID 86060113
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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-4-methylbicyclo[2.2.2]octane?
The IUPAC name of 1-(difluoromethyl)-4-methylbicyclo[2.2.2]octane (CID 122462461) is 1-(difluoromethyl)-4-methylbicyclo[2.2.2]octane.
What is the SMILES notation for 1-(difluoromethyl)-4-methylbicyclo[2.2.2]octane?
The canonical SMILES for 1-(difluoromethyl)-4-methylbicyclo[2.2.2]octane is CC12CCC(C(F)F)(CC1)CC2.
What is the InChIKey of 1-(difluoromethyl)-4-methylbicyclo[2.2.2]octane?
The InChIKey is SFHKLQYIZHWFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2/c1-9-2-5-10(6-3-9,7-4-9)8(11)12/h8H,2-7H2,1H3.
What are the key properties of 1-(difluoromethyl)-4-methylbicyclo[2.2.2]octane?
1-(difluoromethyl)-4-methylbicyclo[2.2.2]octane has a molecular weight of 174.23 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-4-methylbicyclo[2.2.2]octane is sourced from PubChem (CID 122462461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).