(3R)-2,3-dimethyl-1-(6,6,6-trifluoro-2-methylhexan-2-yl)oxyhexane

C15H29F3O — CID 134199484

IUPAC(3R)-2,3-dimethyl-1-(6,6,6-trifluoro-2-methylhexan-2-yl)oxyhexane
SMILESCCC[C@@H](C)C(C)COC(C)(C)CCCC(F)(F)F
InChIInChI=1S/C15H29F3O/c1-6-8-12(2)13(3)11-19-14(4,5)9-7-10-15(16,17)18/h12-13H,6-11H2,1-5H3/t12-,13?/m1/s1
InChIKeyPJLXGXJCDOTBEY-PZORYLMUSA-N
MW282.39 g/mol
LogP5.59
Rot. Bonds9

About (3R)-2,3-dimethyl-1-(6,6,6-trifluoro-2-methylhexan-2-yl)oxyhexane

(3R)-2,3-dimethyl-1-(6,6,6-trifluoro-2-methylhexan-2-yl)oxyhexane (PubChem CID 134199484) has the molecular formula C15H29F3O and a molecular weight of 282.39 g/mol. Its IUPAC name is (3R)-2,3-dimethyl-1-(6,6,6-trifluoro-2-methylhexan-2-yl)oxyhexane.

Molecular Properties

Compound Name(3R)-2,3-dimethyl-1-(6,6,6-trifluoro-2-methylhexan-2-yl)oxyhexane
PubChem CID134199484
Molecular FormulaC15H29F3O
Molecular Weight282.39 g/mol
Exact Mass282.22
IUPAC Name(3R)-2,3-dimethyl-1-(6,6,6-trifluoro-2-methylhexan-2-yl)oxyhexane
SMILESCCC[C@@H](C)C(C)COC(C)(C)CCCC(F)(F)F
InChIInChI=1S/C15H29F3O/c1-6-8-12(2)13(3)11-19-14(4,5)9-7-10-15(16,17)18/h12-13H,6-11H2,1-5H3/t12-,13?/m1/s1
InChIKeyPJLXGXJCDOTBEY-PZORYLMUSA-N
XLogP5.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.39
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(6S)-2,6-dimethyl-6-(2,2,2-trifluoroethoxy)octane
CID 10752552
2-Ethoxy-1,1,1,2,3,4,5,5,6,6,6-undecafluoro-4-methyl-3-propan-2-ylhexane
CID 19761925
1,1,1-Trifluoro-4-methyl-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)hexane
CID 20756248
1-(1,1-Difluoro-2-methylbutoxy)hexane
CID 20823309
1-[2-(Trifluoromethyl)butoxy]hexane
CID 22002832
(4S)-2,4-dimethyl-2-(trifluoromethyl)oxane
CID 57682168
4-Ethyl-2-methyl-2-(trifluoromethyl)oxolane
CID 57682252
(4S,5R)-2-fluoro-6-(fluoromethyl)-3,4,5-trimethyloxane
CID 58241357
(1,1-Difluoro-2-methylpropoxy)methylcyclopentane
CID 58422627
6-Ethoxy-1,1,1-trifluoro-2-methanidylhexane;rutherfordium
CID 58766550
6-Ethoxy-1,1,1-trifluoro-2-methylhexane
CID 58766551
1-(1,1-Difluoropropoxy)-4,4-difluoro-3-(trifluoromethyl)hexane
CID 59172657

Frequently Asked Questions

What is the IUPAC name of (3R)-2,3-dimethyl-1-(6,6,6-trifluoro-2-methylhexan-2-yl)oxyhexane?
The IUPAC name of (3R)-2,3-dimethyl-1-(6,6,6-trifluoro-2-methylhexan-2-yl)oxyhexane (CID 134199484) is (3R)-2,3-dimethyl-1-(6,6,6-trifluoro-2-methylhexan-2-yl)oxyhexane.
What is the SMILES notation for (3R)-2,3-dimethyl-1-(6,6,6-trifluoro-2-methylhexan-2-yl)oxyhexane?
The canonical SMILES for (3R)-2,3-dimethyl-1-(6,6,6-trifluoro-2-methylhexan-2-yl)oxyhexane is CCC[C@@H](C)C(C)COC(C)(C)CCCC(F)(F)F.
What is the InChIKey of (3R)-2,3-dimethyl-1-(6,6,6-trifluoro-2-methylhexan-2-yl)oxyhexane?
The InChIKey is PJLXGXJCDOTBEY-PZORYLMUSA-N. The full InChI is InChI=1S/C15H29F3O/c1-6-8-12(2)13(3)11-19-14(4,5)9-7-10-15(16,17)18/h12-13H,6-11H2,1-5H3/t12-,13?/m1/s1.
What are the key properties of (3R)-2,3-dimethyl-1-(6,6,6-trifluoro-2-methylhexan-2-yl)oxyhexane?
(3R)-2,3-dimethyl-1-(6,6,6-trifluoro-2-methylhexan-2-yl)oxyhexane has a molecular weight of 282.39 g/mol, XLogP of 5.59, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,3-dimethyl-1-(6,6,6-trifluoro-2-methylhexan-2-yl)oxyhexane is sourced from PubChem (CID 134199484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).