ethane;2-fluoro-2-methylhexane

C9H21F — CID 142890341

IUPACethane;2-fluoro-2-methylhexane
SMILESCC.CCCCC(C)(C)F
InChIInChI=1S/C7H15F.C2H6/c1-4-5-6-7(2,3)8;1-2/h4-6H2,1-3H3;1-2H3
InChIKeyTXWSOQHPYGWOJN-UHFFFAOYSA-N
MW148.26 g/mol
LogP3.95
Rot. Bonds3

About ethane;2-fluoro-2-methylhexane

ethane;2-fluoro-2-methylhexane (PubChem CID 142890341) has the molecular formula C9H21F and a molecular weight of 148.26 g/mol. Its IUPAC name is ethane;2-fluoro-2-methylhexane.

Molecular Properties

Compound Nameethane;2-fluoro-2-methylhexane
PubChem CID142890341
Molecular FormulaC9H21F
Molecular Weight148.26 g/mol
Exact Mass148.16
IUPAC Nameethane;2-fluoro-2-methylhexane
SMILESCC.CCCCC(C)(C)F
InChIInChI=1S/C7H15F.C2H6/c1-4-5-6-7(2,3)8;1-2/h4-6H2,1-3H3;1-2H3
InChIKeyTXWSOQHPYGWOJN-UHFFFAOYSA-N
XLogP3.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.26
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-bromo-4-fluoro-4-methylpentane
CID 19966831
5,5-difluorononane
CID 21410163
ethane;1,1,1,2,2-pentafluorohexane
CID 167481670
iron(3+);1,1,1-trifluoropentane
CID 161198772
2,2-dimethylhexane
CID 169424592
3-methyl-3-(trifluoromethyl)heptane
CID 142541633
6-butyl-6-fluoroundecane
CID 11424735
ethane;2-fluoro-2-methylbutane
CID 143329956
azane;2,2-dimethylhexane
CID 161105081
1-(1,1-difluoropentoxy)-1,1-difluoropentane
CID 121434513
1,5-dibromo-5-fluorononane
CID 154211577
tert-butyl(2-fluorohexan-2-yl)diazene
CID 12070537

Frequently Asked Questions

What is the IUPAC name of ethane;2-fluoro-2-methylhexane?
The IUPAC name of ethane;2-fluoro-2-methylhexane (CID 142890341) is ethane;2-fluoro-2-methylhexane.
What is the SMILES notation for ethane;2-fluoro-2-methylhexane?
The canonical SMILES for ethane;2-fluoro-2-methylhexane is CC.CCCCC(C)(C)F.
What is the InChIKey of ethane;2-fluoro-2-methylhexane?
The InChIKey is TXWSOQHPYGWOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F.C2H6/c1-4-5-6-7(2,3)8;1-2/h4-6H2,1-3H3;1-2H3.
What are the key properties of ethane;2-fluoro-2-methylhexane?
ethane;2-fluoro-2-methylhexane has a molecular weight of 148.26 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-fluoro-2-methylhexane is sourced from PubChem (CID 142890341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).