(2S)-1,1,1,3,3-pentafluoro-2-(fluoromethoxy)-3-methoxypropane

C5H6F6O2 — CID 101255623

IUPAC(2S)-1,1,1,3,3-pentafluoro-2-(fluoromethoxy)-3-methoxypropane
SMILESCOC(F)(F)[C@H](OCF)C(F)(F)F
InChIInChI=1S/C5H6F6O2/c1-12-5(10,11)3(13-2-6)4(7,8)9/h3H,2H2,1H3/t3-/m1/s1
InChIKeyGIRCVFXPLMQPGW-GSVOUGTGSA-N
MW212.09 g/mol
LogP2.10
Rot. Bonds4

About (2S)-1,1,1,3,3-pentafluoro-2-(fluoromethoxy)-3-methoxypropane

(2S)-1,1,1,3,3-pentafluoro-2-(fluoromethoxy)-3-methoxypropane (PubChem CID 101255623) has the molecular formula C5H6F6O2 and a molecular weight of 212.09 g/mol. Its IUPAC name is (2S)-1,1,1,3,3-pentafluoro-2-(fluoromethoxy)-3-methoxypropane.

Molecular Properties

Compound Name(2S)-1,1,1,3,3-pentafluoro-2-(fluoromethoxy)-3-methoxypropane
PubChem CID101255623
Molecular FormulaC5H6F6O2
Molecular Weight212.09 g/mol
Exact Mass212.03
IUPAC Name(2S)-1,1,1,3,3-pentafluoro-2-(fluoromethoxy)-3-methoxypropane
SMILESCOC(F)(F)[C@H](OCF)C(F)(F)F
InChIInChI=1S/C5H6F6O2/c1-12-5(10,11)3(13-2-6)4(7,8)9/h3H,2H2,1H3/t3-/m1/s1
InChIKeyGIRCVFXPLMQPGW-GSVOUGTGSA-N
XLogP2.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.09
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1,1,1,3,3-pentafluoro-2-(fluoromethoxy)-3-methoxypropane?
The IUPAC name of (2S)-1,1,1,3,3-pentafluoro-2-(fluoromethoxy)-3-methoxypropane (CID 101255623) is (2S)-1,1,1,3,3-pentafluoro-2-(fluoromethoxy)-3-methoxypropane.
What is the SMILES notation for (2S)-1,1,1,3,3-pentafluoro-2-(fluoromethoxy)-3-methoxypropane?
The canonical SMILES for (2S)-1,1,1,3,3-pentafluoro-2-(fluoromethoxy)-3-methoxypropane is COC(F)(F)[C@H](OCF)C(F)(F)F.
What is the InChIKey of (2S)-1,1,1,3,3-pentafluoro-2-(fluoromethoxy)-3-methoxypropane?
The InChIKey is GIRCVFXPLMQPGW-GSVOUGTGSA-N. The full InChI is InChI=1S/C5H6F6O2/c1-12-5(10,11)3(13-2-6)4(7,8)9/h3H,2H2,1H3/t3-/m1/s1.
What are the key properties of (2S)-1,1,1,3,3-pentafluoro-2-(fluoromethoxy)-3-methoxypropane?
(2S)-1,1,1,3,3-pentafluoro-2-(fluoromethoxy)-3-methoxypropane has a molecular weight of 212.09 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,1,1,3,3-pentafluoro-2-(fluoromethoxy)-3-methoxypropane is sourced from PubChem (CID 101255623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).