1-methyl-4-(5,6,6,6-tetrafluoro-5-methylhexan-3-yl)oxybenzene

C14H18F4O — CID 58901102

IUPAC1-methyl-4-(5,6,6,6-tetrafluoro-5-methylhexan-3-yl)oxybenzene
SMILESCCC(CC(C)(F)C(F)(F)F)Oc1ccc(C)cc1
InChIInChI=1S/C14H18F4O/c1-4-11(9-13(3,15)14(16,17)18)19-12-7-5-10(2)6-8-12/h5-8,11H,4,9H2,1-3H3
InChIKeyAJGQQAZGXPEDFT-UHFFFAOYSA-N
MW278.29 g/mol
LogP4.83
Rot. Bonds5

About 1-methyl-4-(5,6,6,6-tetrafluoro-5-methylhexan-3-yl)oxybenzene

1-methyl-4-(5,6,6,6-tetrafluoro-5-methylhexan-3-yl)oxybenzene (PubChem CID 58901102) has the molecular formula C14H18F4O and a molecular weight of 278.29 g/mol. Its IUPAC name is 1-methyl-4-(5,6,6,6-tetrafluoro-5-methylhexan-3-yl)oxybenzene.

Molecular Properties

Compound Name1-methyl-4-(5,6,6,6-tetrafluoro-5-methylhexan-3-yl)oxybenzene
PubChem CID58901102
Molecular FormulaC14H18F4O
Molecular Weight278.29 g/mol
Exact Mass278.13
IUPAC Name1-methyl-4-(5,6,6,6-tetrafluoro-5-methylhexan-3-yl)oxybenzene
SMILESCCC(CC(C)(F)C(F)(F)F)Oc1ccc(C)cc1
InChIInChI=1S/C14H18F4O/c1-4-11(9-13(3,15)14(16,17)18)19-12-7-5-10(2)6-8-12/h5-8,11H,4,9H2,1-3H3
InChIKeyAJGQQAZGXPEDFT-UHFFFAOYSA-N
XLogP4.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 160675977
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(5,6,6,6-tetrafluoro-5-methylhexan-3-yl)oxybenzene?
The IUPAC name of 1-methyl-4-(5,6,6,6-tetrafluoro-5-methylhexan-3-yl)oxybenzene (CID 58901102) is 1-methyl-4-(5,6,6,6-tetrafluoro-5-methylhexan-3-yl)oxybenzene.
What is the SMILES notation for 1-methyl-4-(5,6,6,6-tetrafluoro-5-methylhexan-3-yl)oxybenzene?
The canonical SMILES for 1-methyl-4-(5,6,6,6-tetrafluoro-5-methylhexan-3-yl)oxybenzene is CCC(CC(C)(F)C(F)(F)F)Oc1ccc(C)cc1.
What is the InChIKey of 1-methyl-4-(5,6,6,6-tetrafluoro-5-methylhexan-3-yl)oxybenzene?
The InChIKey is AJGQQAZGXPEDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F4O/c1-4-11(9-13(3,15)14(16,17)18)19-12-7-5-10(2)6-8-12/h5-8,11H,4,9H2,1-3H3.
What are the key properties of 1-methyl-4-(5,6,6,6-tetrafluoro-5-methylhexan-3-yl)oxybenzene?
1-methyl-4-(5,6,6,6-tetrafluoro-5-methylhexan-3-yl)oxybenzene has a molecular weight of 278.29 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(5,6,6,6-tetrafluoro-5-methylhexan-3-yl)oxybenzene is sourced from PubChem (CID 58901102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).