2-methylhexane;1,1,1-trifluoroethane

C9H19F3 — CID 157031744

IUPAC2-methylhexane;1,1,1-trifluoroethane
SMILESCC(F)(F)F.CCCCC(C)C
InChIInChI=1S/C7H16.C2H3F3/c1-4-5-6-7(2)3;1-2(3,4)5/h7H,4-6H2,1-3H3;1H3
InChIKeyFZOMDMOICVKCAY-UHFFFAOYSA-N
MW184.24 g/mol
LogP4.40
Rot. Bonds3

About 2-methylhexane;1,1,1-trifluoroethane

2-methylhexane;1,1,1-trifluoroethane (PubChem CID 157031744) has the molecular formula C9H19F3 and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-methylhexane;1,1,1-trifluoroethane.

Molecular Properties

Compound Name2-methylhexane;1,1,1-trifluoroethane
PubChem CID157031744
Molecular FormulaC9H19F3
Molecular Weight184.24 g/mol
Exact Mass184.14
IUPAC Name2-methylhexane;1,1,1-trifluoroethane
SMILESCC(F)(F)F.CCCCC(C)C
InChIInChI=1S/C7H16.C2H3F3/c1-4-5-6-7(2)3;1-2(3,4)5/h7H,4-6H2,1-3H3;1H3
InChIKeyFZOMDMOICVKCAY-UHFFFAOYSA-N
XLogP4.40
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 ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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ethane;2-methylhexane;propane
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CID 167665387
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Frequently Asked Questions

What is the IUPAC name of 2-methylhexane;1,1,1-trifluoroethane?
The IUPAC name of 2-methylhexane;1,1,1-trifluoroethane (CID 157031744) is 2-methylhexane;1,1,1-trifluoroethane.
What is the SMILES notation for 2-methylhexane;1,1,1-trifluoroethane?
The canonical SMILES for 2-methylhexane;1,1,1-trifluoroethane is CC(F)(F)F.CCCCC(C)C.
What is the InChIKey of 2-methylhexane;1,1,1-trifluoroethane?
The InChIKey is FZOMDMOICVKCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16.C2H3F3/c1-4-5-6-7(2)3;1-2(3,4)5/h7H,4-6H2,1-3H3;1H3.
What are the key properties of 2-methylhexane;1,1,1-trifluoroethane?
2-methylhexane;1,1,1-trifluoroethane has a molecular weight of 184.24 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylhexane;1,1,1-trifluoroethane is sourced from PubChem (CID 157031744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).