2,2-difluoro-3,3,5-trimethylhexane

C9H18F2 — CID 157101108

IUPAC2,2-difluoro-3,3,5-trimethylhexane
SMILESCC(C)CC(C)(C)C(C)(F)F
InChIInChI=1S/C9H18F2/c1-7(2)6-8(3,4)9(5,10)11/h7H,6H2,1-5H3
InChIKeyARNATNQLKXEQDS-UHFFFAOYSA-N
MW164.24 g/mol
LogP3.71
Rot. Bonds3

About 2,2-difluoro-3,3,5-trimethylhexane

2,2-difluoro-3,3,5-trimethylhexane (PubChem CID 157101108) has the molecular formula C9H18F2 and a molecular weight of 164.24 g/mol. Its IUPAC name is 2,2-difluoro-3,3,5-trimethylhexane.

Molecular Properties

Compound Name2,2-difluoro-3,3,5-trimethylhexane
PubChem CID157101108
Molecular FormulaC9H18F2
Molecular Weight164.24 g/mol
Exact Mass164.14
IUPAC Name2,2-difluoro-3,3,5-trimethylhexane
SMILESCC(C)CC(C)(C)C(C)(F)F
InChIInChI=1S/C9H18F2/c1-7(2)6-8(3,4)9(5,10)11/h7H,6H2,1-5H3
InChIKeyARNATNQLKXEQDS-UHFFFAOYSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.24
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3,3-difluoro-2,2,5-trimethylhexane
CID 90268421
(2-fluoro-3,3,5-trimethylhexan-2-yl)benzene
CID 155030770
N-(2,4-dimethylpentan-2-yl)methanimine
CID 146407592
4-tert-butyl-2,4,6-trimethylheptane
CID 57493093
3,3-difluoro-2,2-dimethylbutan-1-ol
CID 118052047
CID 174450797
CID 174450797
2-hydroperoxy-2-(2-hydroperoxy-3,3,5-trimethylhexan-2-yl)peroxy-3,3,5-trimethylhexane
CID 54454079
1,1-difluoro-2,4-dimethylpentan-2-ol
CID 80605708
2,2,2-trifluoro-N-(2,2,4-trimethylpentyl)acetamide
CID 115190376
2,4-dimethyl-2-(trifluoromethyl)pentanoic acid
CID 83831473
2-chloro-2-fluoro-3-methylbutane
CID 88897527
bis(2,6-dimethyl-4,4-bis(2-methylpropyl)heptane);methane
CID 159457084

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3,3,5-trimethylhexane?
The IUPAC name of 2,2-difluoro-3,3,5-trimethylhexane (CID 157101108) is 2,2-difluoro-3,3,5-trimethylhexane.
What is the SMILES notation for 2,2-difluoro-3,3,5-trimethylhexane?
The canonical SMILES for 2,2-difluoro-3,3,5-trimethylhexane is CC(C)CC(C)(C)C(C)(F)F.
What is the InChIKey of 2,2-difluoro-3,3,5-trimethylhexane?
The InChIKey is ARNATNQLKXEQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2/c1-7(2)6-8(3,4)9(5,10)11/h7H,6H2,1-5H3.
What are the key properties of 2,2-difluoro-3,3,5-trimethylhexane?
2,2-difluoro-3,3,5-trimethylhexane has a molecular weight of 164.24 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3,3,5-trimethylhexane is sourced from PubChem (CID 157101108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).