(2S,3S)-1,1,1-trifluoro-3-methyl-2-[(2-methylpropan-2-yl)oxy]pentane

C10H19F3O — CID 59287981

IUPAC(2S,3S)-1,1,1-trifluoro-3-methyl-2-[(2-methylpropan-2-yl)oxy]pentane
SMILESCC[C@H](C)[C@H](OC(C)(C)C)C(F)(F)F
InChIInChI=1S/C10H19F3O/c1-6-7(2)8(10(11,12)13)14-9(3,4)5/h7-8H,6H2,1-5H3/t7-,8-/m0/s1
InChIKeyKFDQCYCFTMYKGA-YUMQZZPRSA-N
MW212.25 g/mol
LogP3.78
Rot. Bonds3

About (2S,3S)-1,1,1-trifluoro-3-methyl-2-[(2-methylpropan-2-yl)oxy]pentane

(2S,3S)-1,1,1-trifluoro-3-methyl-2-[(2-methylpropan-2-yl)oxy]pentane (PubChem CID 59287981) has the molecular formula C10H19F3O and a molecular weight of 212.25 g/mol. Its IUPAC name is (2S,3S)-1,1,1-trifluoro-3-methyl-2-[(2-methylpropan-2-yl)oxy]pentane.

Molecular Properties

Compound Name(2S,3S)-1,1,1-trifluoro-3-methyl-2-[(2-methylpropan-2-yl)oxy]pentane
PubChem CID59287981
Molecular FormulaC10H19F3O
Molecular Weight212.25 g/mol
Exact Mass212.14
IUPAC Name(2S,3S)-1,1,1-trifluoro-3-methyl-2-[(2-methylpropan-2-yl)oxy]pentane
SMILESCC[C@H](C)[C@H](OC(C)(C)C)C(F)(F)F
InChIInChI=1S/C10H19F3O/c1-6-7(2)8(10(11,12)13)14-9(3,4)5/h7-8H,6H2,1-5H3/t7-,8-/m0/s1
InChIKeyKFDQCYCFTMYKGA-YUMQZZPRSA-N
XLogP3.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-1,1,1-trifluoro-3-methyl-2-[(2-methylpropan-2-yl)oxy]pentane?
The IUPAC name of (2S,3S)-1,1,1-trifluoro-3-methyl-2-[(2-methylpropan-2-yl)oxy]pentane (CID 59287981) is (2S,3S)-1,1,1-trifluoro-3-methyl-2-[(2-methylpropan-2-yl)oxy]pentane.
What is the SMILES notation for (2S,3S)-1,1,1-trifluoro-3-methyl-2-[(2-methylpropan-2-yl)oxy]pentane?
The canonical SMILES for (2S,3S)-1,1,1-trifluoro-3-methyl-2-[(2-methylpropan-2-yl)oxy]pentane is CC[C@H](C)[C@H](OC(C)(C)C)C(F)(F)F.
What is the InChIKey of (2S,3S)-1,1,1-trifluoro-3-methyl-2-[(2-methylpropan-2-yl)oxy]pentane?
The InChIKey is KFDQCYCFTMYKGA-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H19F3O/c1-6-7(2)8(10(11,12)13)14-9(3,4)5/h7-8H,6H2,1-5H3/t7-,8-/m0/s1.
What are the key properties of (2S,3S)-1,1,1-trifluoro-3-methyl-2-[(2-methylpropan-2-yl)oxy]pentane?
(2S,3S)-1,1,1-trifluoro-3-methyl-2-[(2-methylpropan-2-yl)oxy]pentane has a molecular weight of 212.25 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-1,1,1-trifluoro-3-methyl-2-[(2-methylpropan-2-yl)oxy]pentane is sourced from PubChem (CID 59287981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).