1,1-difluoro-4,4-dimethylhexane

C8H16F2 — CID 170227321

IUPAC1,1-difluoro-4,4-dimethylhexane
SMILESCCC(C)(C)CCC(F)F
InChIInChI=1S/C8H16F2/c1-4-8(2,3)6-5-7(9)10/h7H,4-6H2,1-3H3
InChIKeyYSDQIACPDQDXIG-UHFFFAOYSA-N
MW150.21 g/mol
LogP3.47
Rot. Bonds4

About 1,1-difluoro-4,4-dimethylhexane

1,1-difluoro-4,4-dimethylhexane (PubChem CID 170227321) has the molecular formula C8H16F2 and a molecular weight of 150.21 g/mol. Its IUPAC name is 1,1-difluoro-4,4-dimethylhexane.

Molecular Properties

Compound Name1,1-difluoro-4,4-dimethylhexane
PubChem CID170227321
Molecular FormulaC8H16F2
Molecular Weight150.21 g/mol
Exact Mass150.12
IUPAC Name1,1-difluoro-4,4-dimethylhexane
SMILESCCC(C)(C)CCC(F)F
InChIInChI=1S/C8H16F2/c1-4-8(2,3)6-5-7(9)10/h7H,4-6H2,1-3H3
InChIKeyYSDQIACPDQDXIG-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.21
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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3-ethyl-6,6-dimethyloctan-2-ol
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3,3,9,9-tetramethylundecane
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3,3,19,19-tetramethylhenicosane
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2,5,5-trimethyl-N-(3-methylpentan-3-yl)heptan-1-amine
CID 91457682
(3R,9S)-6,6-dimethylundecane-3,9-diol
CID 89346944
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CID 123373948
CID 123373948

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-4,4-dimethylhexane?
The IUPAC name of 1,1-difluoro-4,4-dimethylhexane (CID 170227321) is 1,1-difluoro-4,4-dimethylhexane.
What is the SMILES notation for 1,1-difluoro-4,4-dimethylhexane?
The canonical SMILES for 1,1-difluoro-4,4-dimethylhexane is CCC(C)(C)CCC(F)F.
What is the InChIKey of 1,1-difluoro-4,4-dimethylhexane?
The InChIKey is YSDQIACPDQDXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2/c1-4-8(2,3)6-5-7(9)10/h7H,4-6H2,1-3H3.
What are the key properties of 1,1-difluoro-4,4-dimethylhexane?
1,1-difluoro-4,4-dimethylhexane has a molecular weight of 150.21 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-4,4-dimethylhexane is sourced from PubChem (CID 170227321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).