ethane;2,3,3-trifluoro-2-methylhexane

C9H19F3 — CID 178006471

IUPACethane;2,3,3-trifluoro-2-methylhexane
SMILESCC.CCCC(F)(F)C(C)(C)F
InChIInChI=1S/C7H13F3.C2H6/c1-4-5-7(9,10)6(2,3)8;1-2/h4-5H2,1-3H3;1-2H3
InChIKeyPZDBWZWZCUZPDW-UHFFFAOYSA-N
MW184.24 g/mol
LogP4.20
Rot. Bonds3

About ethane;2,3,3-trifluoro-2-methylhexane

ethane;2,3,3-trifluoro-2-methylhexane (PubChem CID 178006471) has the molecular formula C9H19F3 and a molecular weight of 184.24 g/mol. Its IUPAC name is ethane;2,3,3-trifluoro-2-methylhexane.

Molecular Properties

Compound Nameethane;2,3,3-trifluoro-2-methylhexane
PubChem CID178006471
Molecular FormulaC9H19F3
Molecular Weight184.24 g/mol
Exact Mass184.14
IUPAC Nameethane;2,3,3-trifluoro-2-methylhexane
SMILESCC.CCCC(F)(F)C(C)(C)F
InChIInChI=1S/C7H13F3.C2H6/c1-4-5-7(9,10)6(2,3)8;1-2/h4-5H2,1-3H3;1-2H3
InChIKeyPZDBWZWZCUZPDW-UHFFFAOYSA-N
XLogP4.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;1,1,1-trifluoro-2,2-dimethylpentane
CID 157037370
3-ethyl-2-fluoro-2,3-dimethylhexane
CID 155261680
1,1,1-trifluoro-2-methyl-2-(trifluoromethyl)pentane
CID 19105659
1,2,2,3,3,4,4-heptafluoroheptane-1,1-diol
CID 150787690
ethane;2-fluoro-2-methylhexane
CID 142890341
2,2-dimethylpentane;ethane;propane
CID 156751345
1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorononan-1-ol
CID 87670862
2-fluoro-2-methylpentan-1-amine
CID 84716027
(3S)-3-fluoro-2,3-dimethylhexane
CID 169026252
ethane;1,1,1,2,2-pentafluorohexane
CID 167481670
ethane;2-fluoro-2-methylbutane
CID 143329956
azane;1,1,1-trifluorobutane;hydrochloride
CID 135354916

Frequently Asked Questions

What is the IUPAC name of ethane;2,3,3-trifluoro-2-methylhexane?
The IUPAC name of ethane;2,3,3-trifluoro-2-methylhexane (CID 178006471) is ethane;2,3,3-trifluoro-2-methylhexane.
What is the SMILES notation for ethane;2,3,3-trifluoro-2-methylhexane?
The canonical SMILES for ethane;2,3,3-trifluoro-2-methylhexane is CC.CCCC(F)(F)C(C)(C)F.
What is the InChIKey of ethane;2,3,3-trifluoro-2-methylhexane?
The InChIKey is PZDBWZWZCUZPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3.C2H6/c1-4-5-7(9,10)6(2,3)8;1-2/h4-5H2,1-3H3;1-2H3.
What are the key properties of ethane;2,3,3-trifluoro-2-methylhexane?
ethane;2,3,3-trifluoro-2-methylhexane has a molecular weight of 184.24 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,3,3-trifluoro-2-methylhexane is sourced from PubChem (CID 178006471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).