ethane;1,1,1-trifluoro-2,2-dimethylpentane

C9H19F3 — CID 157037370

IUPACethane;1,1,1-trifluoro-2,2-dimethylpentane
SMILESCC.CCCC(C)(C)C(F)(F)F
InChIInChI=1S/C7H13F3.C2H6/c1-4-5-6(2,3)7(8,9)10;1-2/h4-5H2,1-3H3;1-2H3
InChIKeyPXYPGHGJDFLMPB-UHFFFAOYSA-N
MW184.24 g/mol
LogP4.40
Rot. Bonds2

About ethane;1,1,1-trifluoro-2,2-dimethylpentane

ethane;1,1,1-trifluoro-2,2-dimethylpentane (PubChem CID 157037370) has the molecular formula C9H19F3 and a molecular weight of 184.24 g/mol. Its IUPAC name is ethane;1,1,1-trifluoro-2,2-dimethylpentane.

Molecular Properties

Compound Nameethane;1,1,1-trifluoro-2,2-dimethylpentane
PubChem CID157037370
Molecular FormulaC9H19F3
Molecular Weight184.24 g/mol
Exact Mass184.14
IUPAC Nameethane;1,1,1-trifluoro-2,2-dimethylpentane
SMILESCC.CCCC(C)(C)C(F)(F)F
InChIInChI=1S/C7H13F3.C2H6/c1-4-5-6(2,3)7(8,9)10;1-2/h4-5H2,1-3H3;1-2H3
InChIKeyPXYPGHGJDFLMPB-UHFFFAOYSA-N
XLogP4.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1,1-trifluoro-2,2-dimethylheptane
CID 139399706
1,1,1-trifluoro-2-methyl-2-(trifluoromethyl)pentane
CID 19105659
ethane;2,3,3-trifluoro-2-methylhexane
CID 178006471
ethane;1,1,1,2,2-pentafluorohexane
CID 167481670
3-ethyl-2-fluoro-2,3,4,4,5,5,6,6-octamethylnonane
CID 130342760
argon;ethane;1,1,1-trifluoro-2,2-dimethylpropane;1,1,1-trifluoro-2,2,6,6-tetramethylheptane
CID 167697447
ethane;4,4,5,5-tetramethyl-2-(5,5,5-trifluoro-4,4-dimethylpentyl)-1,3,2-dioxaborolane
CID 143087872
ethane;2-fluoro-2-methylhexane
CID 142890341
3-ethyl-2-fluoro-2,3-dimethylhexane
CID 155261680
2,2-dimethylpentane;ethane;propane
CID 156751345
1,1,1,2,2,3,3-heptafluoro-4-methylheptan-4-ol
CID 150244186
5,5,5-trifluoro-4,4-dimethylpentanoic acid
CID 129074963

Frequently Asked Questions

What is the IUPAC name of ethane;1,1,1-trifluoro-2,2-dimethylpentane?
The IUPAC name of ethane;1,1,1-trifluoro-2,2-dimethylpentane (CID 157037370) is ethane;1,1,1-trifluoro-2,2-dimethylpentane.
What is the SMILES notation for ethane;1,1,1-trifluoro-2,2-dimethylpentane?
The canonical SMILES for ethane;1,1,1-trifluoro-2,2-dimethylpentane is CC.CCCC(C)(C)C(F)(F)F.
What is the InChIKey of ethane;1,1,1-trifluoro-2,2-dimethylpentane?
The InChIKey is PXYPGHGJDFLMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3.C2H6/c1-4-5-6(2,3)7(8,9)10;1-2/h4-5H2,1-3H3;1-2H3.
What are the key properties of ethane;1,1,1-trifluoro-2,2-dimethylpentane?
ethane;1,1,1-trifluoro-2,2-dimethylpentane has a molecular weight of 184.24 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,1,1-trifluoro-2,2-dimethylpentane is sourced from PubChem (CID 157037370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).