ethane;2-fluoro-2-methylbutane

C7H17F — CID 143329956

IUPACethane;2-fluoro-2-methylbutane
SMILESCC.CCC(C)(C)F
InChIInChI=1S/C5H11F.C2H6/c1-4-5(2,3)6;1-2/h4H2,1-3H3;1-2H3
InChIKeyCJEYIGWGTCTHIO-UHFFFAOYSA-N
MW120.21 g/mol
LogP3.17
Rot. Bonds1

About ethane;2-fluoro-2-methylbutane

ethane;2-fluoro-2-methylbutane (PubChem CID 143329956) has the molecular formula C7H17F and a molecular weight of 120.21 g/mol. Its IUPAC name is ethane;2-fluoro-2-methylbutane.

Molecular Properties

Compound Nameethane;2-fluoro-2-methylbutane
PubChem CID143329956
Molecular FormulaC7H17F
Molecular Weight120.21 g/mol
Exact Mass120.13
IUPAC Nameethane;2-fluoro-2-methylbutane
SMILESCC.CCC(C)(C)F
InChIInChI=1S/C5H11F.C2H6/c1-4-5(2,3)6;1-2/h4H2,1-3H3;1-2H3
InChIKeyCJEYIGWGTCTHIO-UHFFFAOYSA-N
XLogP3.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.21
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-fluoro-2,4,4-trimethylhexane
CID 155702638
ethane;2-fluoro-2-methylpropan-1-amine
CID 166112006
2,2-difluoropropane;ethane
CID 144524394
ethane;2-fluoro-2-methylhexane
CID 142890341
2,2,3,3-tetrafluoropentane
CID 12951106
4,4,5,5-tetrafluoro-3,3,6,6-tetramethyloctane
CID 88578867
ethane;3-ethyl-3-methylpentane
CID 158904304
2,3-dimethyl-3-(trifluoromethyl)pentane
CID 129215911
2,2-difluorobutane;ethane;3-methylpentane
CID 145386582
2,2-dimethylpropane;ethane;2-fluoro-2-methylpropane
CID 142473666
2-methyl-2-(trifluoromethyl)butane-1,1-diol
CID 162587850
1,1,1-trichloro-2-fluoro-2-methylbutane
CID 88824769

Frequently Asked Questions

What is the IUPAC name of ethane;2-fluoro-2-methylbutane?
The IUPAC name of ethane;2-fluoro-2-methylbutane (CID 143329956) is ethane;2-fluoro-2-methylbutane.
What is the SMILES notation for ethane;2-fluoro-2-methylbutane?
The canonical SMILES for ethane;2-fluoro-2-methylbutane is CC.CCC(C)(C)F.
What is the InChIKey of ethane;2-fluoro-2-methylbutane?
The InChIKey is CJEYIGWGTCTHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F.C2H6/c1-4-5(2,3)6;1-2/h4H2,1-3H3;1-2H3.
What are the key properties of ethane;2-fluoro-2-methylbutane?
ethane;2-fluoro-2-methylbutane has a molecular weight of 120.21 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-fluoro-2-methylbutane is sourced from PubChem (CID 143329956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).