1,1,1,3,3,3-hexafluoropropan-2-yl (2R)-2-ethylhexanoate

C11H16F6O2 — CID 125478870

IUPAC1,1,1,3,3,3-hexafluoropropan-2-yl (2R)-2-ethylhexanoate
SMILESCCCC[C@@H](CC)C(=O)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H16F6O2/c1-3-5-6-7(4-2)8(18)19-9(10(12,13)14)11(15,16)17/h7,9H,3-6H2,1-2H3/t7-/m1/s1
InChIKeyMJZLVPYYRJILSW-SSDOTTSWSA-N
MW294.24 g/mol
LogP4.24
Rot. Bonds6

About 1,1,1,3,3,3-hexafluoropropan-2-yl (2R)-2-ethylhexanoate

1,1,1,3,3,3-hexafluoropropan-2-yl (2R)-2-ethylhexanoate (PubChem CID 125478870) has the molecular formula C11H16F6O2 and a molecular weight of 294.24 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoropropan-2-yl (2R)-2-ethylhexanoate.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoropropan-2-yl (2R)-2-ethylhexanoate
PubChem CID125478870
Molecular FormulaC11H16F6O2
Molecular Weight294.24 g/mol
Exact Mass294.11
IUPAC Name1,1,1,3,3,3-hexafluoropropan-2-yl (2R)-2-ethylhexanoate
SMILESCCCC[C@@H](CC)C(=O)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H16F6O2/c1-3-5-6-7(4-2)8(18)19-9(10(12,13)14)11(15,16)17/h7,9H,3-6H2,1-2H3/t7-/m1/s1
InChIKeyMJZLVPYYRJILSW-SSDOTTSWSA-N
XLogP4.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1,3,3,3-hexafluoropropan-2-yl 2-hexyldecanoate
CID 146607097
1-hydroxyethyl 2-ethylhexanoate
CID 22112693
pentan-3-yl 2-ethylhexanoate
CID 22213614
2,3-bis(2-ethylhexanoyloxy)butanedioic acid
CID 19746940
[2-[(2R)-2-ethylhexanoyl]oxy-3-[(2S)-2-ethylhexanoyl]oxypropyl] (2R)-2-ethylhexanoate
CID 73416086
1-(2-methylpropanoyloxy)ethyl 2-ethylhexanoate
CID 171426062
2,2-dimethylpropyl 2-ethylhexanoate
CID 22213615
2,2-dimethylpropanoyl 2-ethylhexanoate
CID 57098053
3-[(2S)-2-ethylhexanoyl]oxypropyl (2R)-2-ethylhexanoate
CID 125473302
trimethylplumbyl 2-ethylhexanoate
CID 16683317
carbonic acid;ethyl 2-ethylhexanoate
CID 175024500
CID 16684285
CID 16684285

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yl (2R)-2-ethylhexanoate?
The IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yl (2R)-2-ethylhexanoate (CID 125478870) is 1,1,1,3,3,3-hexafluoropropan-2-yl (2R)-2-ethylhexanoate.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoropropan-2-yl (2R)-2-ethylhexanoate?
The canonical SMILES for 1,1,1,3,3,3-hexafluoropropan-2-yl (2R)-2-ethylhexanoate is CCCC[C@@H](CC)C(=O)OC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoropropan-2-yl (2R)-2-ethylhexanoate?
The InChIKey is MJZLVPYYRJILSW-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H16F6O2/c1-3-5-6-7(4-2)8(18)19-9(10(12,13)14)11(15,16)17/h7,9H,3-6H2,1-2H3/t7-/m1/s1.
What are the key properties of 1,1,1,3,3,3-hexafluoropropan-2-yl (2R)-2-ethylhexanoate?
1,1,1,3,3,3-hexafluoropropan-2-yl (2R)-2-ethylhexanoate has a molecular weight of 294.24 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoropropan-2-yl (2R)-2-ethylhexanoate is sourced from PubChem (CID 125478870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).