2,2-difluoro-3,4-dimethylhexane

C8H16F2 — CID 20576355

IUPAC2,2-difluoro-3,4-dimethylhexane
SMILESCCC(C)C(C)C(C)(F)F
InChIInChI=1S/C8H16F2/c1-5-6(2)7(3)8(4,9)10/h6-7H,5H2,1-4H3
InChIKeyXJYYKUUMAQFAJS-UHFFFAOYSA-N
MW150.21 g/mol
LogP3.32
Rot. Bonds3

About 2,2-difluoro-3,4-dimethylhexane

2,2-difluoro-3,4-dimethylhexane (PubChem CID 20576355) has the molecular formula C8H16F2 and a molecular weight of 150.21 g/mol. Its IUPAC name is 2,2-difluoro-3,4-dimethylhexane.

Molecular Properties

Compound Name2,2-difluoro-3,4-dimethylhexane
PubChem CID20576355
Molecular FormulaC8H16F2
Molecular Weight150.21 g/mol
Exact Mass150.12
IUPAC Name2,2-difluoro-3,4-dimethylhexane
SMILESCCC(C)C(C)C(C)(F)F
InChIInChI=1S/C8H16F2/c1-5-6(2)7(3)8(4,9)10/h6-7H,5H2,1-4H3
InChIKeyXJYYKUUMAQFAJS-UHFFFAOYSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.21
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-(Difluoromethyl)octane
CID 14909954
3-(Difluoromethyl)heptane
CID 23237105
2,2-Difluoro-3,4-dimethylpentane
CID 134417265
5-(Trifluoromethyl)nonane
CID 12519455
4-Ethyl-1,1,1,2,3,3-hexafluorohexane
CID 15576977
4-(Trifluoromethyl)heptane
CID 18960143
2,4-Dimethyl-3-(trifluoromethyl)pentane
CID 19768880
1,1,1,2,2-Pentafluoro-4-methyl-3-propan-2-ylpentane
CID 19768885
3,5-Difluoro-4-methylheptane
CID 19778573
3-(Trifluoromethyl)heptane
CID 19902919
2,3,3-Trifluoro-4-methylhexane
CID 19937067
1,1,1,2,2,4,4,5,5,5-Decafluoro-3-propan-2-ylpentane
CID 20145614

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3,4-dimethylhexane?
The IUPAC name of 2,2-difluoro-3,4-dimethylhexane (CID 20576355) is 2,2-difluoro-3,4-dimethylhexane.
What is the SMILES notation for 2,2-difluoro-3,4-dimethylhexane?
The canonical SMILES for 2,2-difluoro-3,4-dimethylhexane is CCC(C)C(C)C(C)(F)F.
What is the InChIKey of 2,2-difluoro-3,4-dimethylhexane?
The InChIKey is XJYYKUUMAQFAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2/c1-5-6(2)7(3)8(4,9)10/h6-7H,5H2,1-4H3.
What are the key properties of 2,2-difluoro-3,4-dimethylhexane?
2,2-difluoro-3,4-dimethylhexane has a molecular weight of 150.21 g/mol, XLogP of 3.32, 3 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-dimethylhexane is sourced from PubChem (CID 20576355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).