2,2-difluorobutane;ethane;3-methylpentane

C12H28F2 — CID 145386582

IUPAC2,2-difluorobutane;ethane;3-methylpentane
SMILESCC.CCC(C)(F)F.CCC(C)CC
InChIInChI=1S/C6H14.C4H8F2.C2H6/c1-4-6(3)5-2;1-3-4(2,5)6;1-2/h6H,4-5H2,1-3H3;3H2,1-2H3;1-2H3
InChIKeyDIXXBQKNAZGOMB-UHFFFAOYSA-N
MW210.35 g/mol
LogP5.52
Rot. Bonds3

About 2,2-difluorobutane;ethane;3-methylpentane

2,2-difluorobutane;ethane;3-methylpentane (PubChem CID 145386582) has the molecular formula C12H28F2 and a molecular weight of 210.35 g/mol. Its IUPAC name is 2,2-difluorobutane;ethane;3-methylpentane.

Molecular Properties

Compound Name2,2-difluorobutane;ethane;3-methylpentane
PubChem CID145386582
Molecular FormulaC12H28F2
Molecular Weight210.35 g/mol
Exact Mass210.22
IUPAC Name2,2-difluorobutane;ethane;3-methylpentane
SMILESCC.CCC(C)(F)F.CCC(C)CC
InChIInChI=1S/C6H14.C4H8F2.C2H6/c1-4-6(3)5-2;1-3-4(2,5)6;1-2/h6H,4-5H2,1-3H3;3H2,1-2H3;1-2H3
InChIKeyDIXXBQKNAZGOMB-UHFFFAOYSA-N
XLogP5.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.35
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;3-methylpentane
CID 91147782
3-fluoro-3,5-dimethylheptane
CID 123257807
2,2-dimethylbutane;2,3-dimethylbutane;3-methylpentane
CID 159848949
3-methylpentane;hydrate
CID 144914279
methane;3-methylpentane
CID 157218592
methane;3-methylpentane
CID 153359275
3-methylpentane;propane
CID 123266773
acetylene;ethane;3-methylpentane;propane
CID 143705259
1,1,1-trifluoro-3-methylpentane
CID 21020397
ethane;2-fluoro-2-methylbutane
CID 143329956
N,N-dimethylmethanamine;3-ethyl-3-methylpentane;methane;3-methylpentane;2-methylpropane
CID 158967463
ethane;ethene;methane;3-methylpentane;propane
CID 144518187

Frequently Asked Questions

What is the IUPAC name of 2,2-difluorobutane;ethane;3-methylpentane?
The IUPAC name of 2,2-difluorobutane;ethane;3-methylpentane (CID 145386582) is 2,2-difluorobutane;ethane;3-methylpentane.
What is the SMILES notation for 2,2-difluorobutane;ethane;3-methylpentane?
The canonical SMILES for 2,2-difluorobutane;ethane;3-methylpentane is CC.CCC(C)(F)F.CCC(C)CC.
What is the InChIKey of 2,2-difluorobutane;ethane;3-methylpentane?
The InChIKey is DIXXBQKNAZGOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.C4H8F2.C2H6/c1-4-6(3)5-2;1-3-4(2,5)6;1-2/h6H,4-5H2,1-3H3;3H2,1-2H3;1-2H3.
What are the key properties of 2,2-difluorobutane;ethane;3-methylpentane?
2,2-difluorobutane;ethane;3-methylpentane has a molecular weight of 210.35 g/mol, XLogP of 5.52, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluorobutane;ethane;3-methylpentane is sourced from PubChem (CID 145386582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).