3-(difluoromethoxy)-3-(difluoromethyl)pentane

C7H12F4O — CID 89051331

IUPAC3-(difluoromethoxy)-3-(difluoromethyl)pentane
SMILESCCC(CC)(OC(F)F)C(F)F
InChIInChI=1S/C7H12F4O/c1-3-7(4-2,5(8)9)12-6(10)11/h5-6H,3-4H2,1-2H3
InChIKeyBOHCWTIHKOJADO-UHFFFAOYSA-N
MW188.16 g/mol
LogP3.05
Rot. Bonds5

About 3-(difluoromethoxy)-3-(difluoromethyl)pentane

3-(difluoromethoxy)-3-(difluoromethyl)pentane (PubChem CID 89051331) has the molecular formula C7H12F4O and a molecular weight of 188.16 g/mol. Its IUPAC name is 3-(difluoromethoxy)-3-(difluoromethyl)pentane.

Molecular Properties

Compound Name3-(difluoromethoxy)-3-(difluoromethyl)pentane
PubChem CID89051331
Molecular FormulaC7H12F4O
Molecular Weight188.16 g/mol
Exact Mass188.08
IUPAC Name3-(difluoromethoxy)-3-(difluoromethyl)pentane
SMILESCCC(CC)(OC(F)F)C(F)F
InChIInChI=1S/C7H12F4O/c1-3-7(4-2,5(8)9)12-6(10)11/h5-6H,3-4H2,1-2H3
InChIKeyBOHCWTIHKOJADO-UHFFFAOYSA-N
XLogP3.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.16
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-3-(difluoromethyl)pentane?
The IUPAC name of 3-(difluoromethoxy)-3-(difluoromethyl)pentane (CID 89051331) is 3-(difluoromethoxy)-3-(difluoromethyl)pentane.
What is the SMILES notation for 3-(difluoromethoxy)-3-(difluoromethyl)pentane?
The canonical SMILES for 3-(difluoromethoxy)-3-(difluoromethyl)pentane is CCC(CC)(OC(F)F)C(F)F.
What is the InChIKey of 3-(difluoromethoxy)-3-(difluoromethyl)pentane?
The InChIKey is BOHCWTIHKOJADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F4O/c1-3-7(4-2,5(8)9)12-6(10)11/h5-6H,3-4H2,1-2H3.
What are the key properties of 3-(difluoromethoxy)-3-(difluoromethyl)pentane?
3-(difluoromethoxy)-3-(difluoromethyl)pentane has a molecular weight of 188.16 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-3-(difluoromethyl)pentane is sourced from PubChem (CID 89051331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).