1,1,1-trifluoro-2-methoxy-2-methylhexane

C8H15F3O — CID 160964134

IUPAC1,1,1-trifluoro-2-methoxy-2-methylhexane
SMILESCCCCC(C)(OC)C(F)(F)F
InChIInChI=1S/C8H15F3O/c1-4-5-6-7(2,12-3)8(9,10)11/h4-6H2,1-3H3
InChIKeySXJVPSOERFQZSP-UHFFFAOYSA-N
MW184.20 g/mol
LogP3.14
Rot. Bonds4

About 1,1,1-trifluoro-2-methoxy-2-methylhexane

1,1,1-trifluoro-2-methoxy-2-methylhexane (PubChem CID 160964134) has the molecular formula C8H15F3O and a molecular weight of 184.20 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-methoxy-2-methylhexane.

Molecular Properties

Compound Name1,1,1-trifluoro-2-methoxy-2-methylhexane
PubChem CID160964134
Molecular FormulaC8H15F3O
Molecular Weight184.20 g/mol
Exact Mass184.11
IUPAC Name1,1,1-trifluoro-2-methoxy-2-methylhexane
SMILESCCCCC(C)(OC)C(F)(F)F
InChIInChI=1S/C8H15F3O/c1-4-5-6-7(2,12-3)8(9,10)11/h4-6H2,1-3H3
InChIKeySXJVPSOERFQZSP-UHFFFAOYSA-N
XLogP3.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-methoxy-2-methylhexane?
The IUPAC name of 1,1,1-trifluoro-2-methoxy-2-methylhexane (CID 160964134) is 1,1,1-trifluoro-2-methoxy-2-methylhexane.
What is the SMILES notation for 1,1,1-trifluoro-2-methoxy-2-methylhexane?
The canonical SMILES for 1,1,1-trifluoro-2-methoxy-2-methylhexane is CCCCC(C)(OC)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-methoxy-2-methylhexane?
The InChIKey is SXJVPSOERFQZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3O/c1-4-5-6-7(2,12-3)8(9,10)11/h4-6H2,1-3H3.
What are the key properties of 1,1,1-trifluoro-2-methoxy-2-methylhexane?
1,1,1-trifluoro-2-methoxy-2-methylhexane has a molecular weight of 184.20 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-methoxy-2-methylhexane is sourced from PubChem (CID 160964134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).