2,2-difluoro-3,4-dimethylpentane

C7H14F2 — CID 134417265

IUPAC2,2-difluoro-3,4-dimethylpentane
SMILESCC(C)C(C)C(C)(F)F
InChIInChI=1S/C7H14F2/c1-5(2)6(3)7(4,8)9/h5-6H,1-4H3
InChIKeyOOPJQMBHRXXKBU-UHFFFAOYSA-N
MW136.19 g/mol
LogP2.93
Rot. Bonds2

About 2,2-difluoro-3,4-dimethylpentane

2,2-difluoro-3,4-dimethylpentane (PubChem CID 134417265) has the molecular formula C7H14F2 and a molecular weight of 136.19 g/mol. Its IUPAC name is 2,2-difluoro-3,4-dimethylpentane.

Molecular Properties

Compound Name2,2-difluoro-3,4-dimethylpentane
PubChem CID134417265
Molecular FormulaC7H14F2
Molecular Weight136.19 g/mol
Exact Mass136.11
IUPAC Name2,2-difluoro-3,4-dimethylpentane
SMILESCC(C)C(C)C(C)(F)F
InChIInChI=1S/C7H14F2/c1-5(2)6(3)7(4,8)9/h5-6H,1-4H3
InChIKeyOOPJQMBHRXXKBU-UHFFFAOYSA-N
XLogP2.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3,4-dimethylpentane?
The IUPAC name of 2,2-difluoro-3,4-dimethylpentane (CID 134417265) is 2,2-difluoro-3,4-dimethylpentane.
What is the SMILES notation for 2,2-difluoro-3,4-dimethylpentane?
The canonical SMILES for 2,2-difluoro-3,4-dimethylpentane is CC(C)C(C)C(C)(F)F.
What is the InChIKey of 2,2-difluoro-3,4-dimethylpentane?
The InChIKey is OOPJQMBHRXXKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2/c1-5(2)6(3)7(4,8)9/h5-6H,1-4H3.
What are the key properties of 2,2-difluoro-3,4-dimethylpentane?
2,2-difluoro-3,4-dimethylpentane has a molecular weight of 136.19 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3,4-dimethylpentane is sourced from PubChem (CID 134417265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).