3-(difluoromethylidene)-2,2-difluoro-4-methylpentane

C7H10F4 — CID 20590762

IUPAC3-(difluoromethylidene)-2,2-difluoro-4-methylpentane
SMILESCC(C)C(=C(F)F)C(C)(F)F
InChIInChI=1S/C7H10F4/c1-4(2)5(6(8)9)7(3,10)11/h4H,1-3H3
InChIKeyWRQVDXAXIWHMSF-UHFFFAOYSA-N
MW170.15 g/mol
LogP3.45
Rot. Bonds2

About 3-(difluoromethylidene)-2,2-difluoro-4-methylpentane

3-(difluoromethylidene)-2,2-difluoro-4-methylpentane (PubChem CID 20590762) has the molecular formula C7H10F4 and a molecular weight of 170.15 g/mol. Its IUPAC name is 3-(difluoromethylidene)-2,2-difluoro-4-methylpentane.

Molecular Properties

Compound Name3-(difluoromethylidene)-2,2-difluoro-4-methylpentane
PubChem CID20590762
Molecular FormulaC7H10F4
Molecular Weight170.15 g/mol
Exact Mass170.07
IUPAC Name3-(difluoromethylidene)-2,2-difluoro-4-methylpentane
SMILESCC(C)C(=C(F)F)C(C)(F)F
InChIInChI=1S/C7H10F4/c1-4(2)5(6(8)9)7(3,10)11/h4H,1-3H3
InChIKeyWRQVDXAXIWHMSF-UHFFFAOYSA-N
XLogP3.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.15
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethylidene)-2,2-difluoro-4-methylpentane?
The IUPAC name of 3-(difluoromethylidene)-2,2-difluoro-4-methylpentane (CID 20590762) is 3-(difluoromethylidene)-2,2-difluoro-4-methylpentane.
What is the SMILES notation for 3-(difluoromethylidene)-2,2-difluoro-4-methylpentane?
The canonical SMILES for 3-(difluoromethylidene)-2,2-difluoro-4-methylpentane is CC(C)C(=C(F)F)C(C)(F)F.
What is the InChIKey of 3-(difluoromethylidene)-2,2-difluoro-4-methylpentane?
The InChIKey is WRQVDXAXIWHMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F4/c1-4(2)5(6(8)9)7(3,10)11/h4H,1-3H3.
What are the key properties of 3-(difluoromethylidene)-2,2-difluoro-4-methylpentane?
3-(difluoromethylidene)-2,2-difluoro-4-methylpentane has a molecular weight of 170.15 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethylidene)-2,2-difluoro-4-methylpentane is sourced from PubChem (CID 20590762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).