3-fluoro-2-methoxy-2,4,4,6,7-pentamethyl-3-(trifluoromethyl)octane

C15H28F4O — CID 142318767

IUPAC3-fluoro-2-methoxy-2,4,4,6,7-pentamethyl-3-(trifluoromethyl)octane
SMILESCOC(C)(C)C(F)(C(F)(F)F)C(C)(C)CC(C)C(C)C
InChIInChI=1S/C15H28F4O/c1-10(2)11(3)9-12(4,5)14(16,15(17,18)19)13(6,7)20-8/h10-11H,9H2,1-8H3
InChIKeyVOOUYWZOKZAEEO-UHFFFAOYSA-N
MW300.38 g/mol
LogP5.39
Rot. Bonds6

About 3-fluoro-2-methoxy-2,4,4,6,7-pentamethyl-3-(trifluoromethyl)octane

3-fluoro-2-methoxy-2,4,4,6,7-pentamethyl-3-(trifluoromethyl)octane (PubChem CID 142318767) has the molecular formula C15H28F4O and a molecular weight of 300.38 g/mol. Its IUPAC name is 3-fluoro-2-methoxy-2,4,4,6,7-pentamethyl-3-(trifluoromethyl)octane.

Molecular Properties

Compound Name3-fluoro-2-methoxy-2,4,4,6,7-pentamethyl-3-(trifluoromethyl)octane
PubChem CID142318767
Molecular FormulaC15H28F4O
Molecular Weight300.38 g/mol
Exact Mass300.21
IUPAC Name3-fluoro-2-methoxy-2,4,4,6,7-pentamethyl-3-(trifluoromethyl)octane
SMILESCOC(C)(C)C(F)(C(F)(F)F)C(C)(C)CC(C)C(C)C
InChIInChI=1S/C15H28F4O/c1-10(2)11(3)9-12(4,5)14(16,15(17,18)19)13(6,7)20-8/h10-11H,9H2,1-8H3
InChIKeyVOOUYWZOKZAEEO-UHFFFAOYSA-N
XLogP5.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.38
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,1,1-trifluoro-2-methoxy-2-methylpropane
CID 21360384
2-[difluoro(methoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane
CID 4156734
(3R)-5,5-difluoro-2,3-dimethylheptane
CID 118133528
2,4,5-trimethyl-2-sulfanyloxyhexane
CID 123823235
2,3,5,5,6,7-hexamethylnonane
CID 91311352
5-ethyl-2,3,5,6,6-pentamethyloctane
CID 123388643
(3S,5R)-2,3,5,6-tetramethyl-3-prop-2-enoxyheptane
CID 59926274
2-(2,3-dimethylbutyl)-4,5-dimethylhexane-1,2-diamine
CID 126685858
2,3-difluoro-2,3-dimethoxybutane
CID 174333179
5-methoxy-3,5-dimethylhexan-2-amine
CID 66438289
methane;propan-2-one;1,1,1-trifluoro-2-methoxy-2-methylpropane
CID 162111882
1,1,1-trifluoro-6-methoxy-6-methylheptan-4-amine
CID 103027354

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methoxy-2,4,4,6,7-pentamethyl-3-(trifluoromethyl)octane?
The IUPAC name of 3-fluoro-2-methoxy-2,4,4,6,7-pentamethyl-3-(trifluoromethyl)octane (CID 142318767) is 3-fluoro-2-methoxy-2,4,4,6,7-pentamethyl-3-(trifluoromethyl)octane.
What is the SMILES notation for 3-fluoro-2-methoxy-2,4,4,6,7-pentamethyl-3-(trifluoromethyl)octane?
The canonical SMILES for 3-fluoro-2-methoxy-2,4,4,6,7-pentamethyl-3-(trifluoromethyl)octane is COC(C)(C)C(F)(C(F)(F)F)C(C)(C)CC(C)C(C)C.
What is the InChIKey of 3-fluoro-2-methoxy-2,4,4,6,7-pentamethyl-3-(trifluoromethyl)octane?
The InChIKey is VOOUYWZOKZAEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F4O/c1-10(2)11(3)9-12(4,5)14(16,15(17,18)19)13(6,7)20-8/h10-11H,9H2,1-8H3.
What are the key properties of 3-fluoro-2-methoxy-2,4,4,6,7-pentamethyl-3-(trifluoromethyl)octane?
3-fluoro-2-methoxy-2,4,4,6,7-pentamethyl-3-(trifluoromethyl)octane has a molecular weight of 300.38 g/mol, XLogP of 5.39, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methoxy-2,4,4,6,7-pentamethyl-3-(trifluoromethyl)octane is sourced from PubChem (CID 142318767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).