(2S)-1,1,1,2,3,3-hexafluoro-4-[(2R)-1,1,2,3,3,3-hexafluoropropoxy]butane

C7H4F12O — CID 98454452

IUPAC(2S)-1,1,1,2,3,3-hexafluoro-4-[(2R)-1,1,2,3,3,3-hexafluoropropoxy]butane
SMILESF[C@H](C(F)(F)F)C(F)(F)COC(F)(F)[C@@H](F)C(F)(F)F
InChIInChI=1S/C7H4F12O/c8-2(5(12,13)14)4(10,11)1-20-7(18,19)3(9)6(15,16)17/h2-3H,1H2/t2-,3-/m0/s1
InChIKeyGQQWJNYJEIXIED-HRFVKAFMSA-N
MW332.08 g/mol
LogP4.03
Rot. Bonds5

About (2S)-1,1,1,2,3,3-hexafluoro-4-[(2R)-1,1,2,3,3,3-hexafluoropropoxy]butane

(2S)-1,1,1,2,3,3-hexafluoro-4-[(2R)-1,1,2,3,3,3-hexafluoropropoxy]butane (PubChem CID 98454452) has the molecular formula C7H4F12O and a molecular weight of 332.08 g/mol. Its IUPAC name is (2S)-1,1,1,2,3,3-hexafluoro-4-[(2R)-1,1,2,3,3,3-hexafluoropropoxy]butane.

Molecular Properties

Compound Name(2S)-1,1,1,2,3,3-hexafluoro-4-[(2R)-1,1,2,3,3,3-hexafluoropropoxy]butane
PubChem CID98454452
Molecular FormulaC7H4F12O
Molecular Weight332.08 g/mol
Exact Mass332.01
IUPAC Name(2S)-1,1,1,2,3,3-hexafluoro-4-[(2R)-1,1,2,3,3,3-hexafluoropropoxy]butane
SMILESF[C@H](C(F)(F)F)C(F)(F)COC(F)(F)[C@@H](F)C(F)(F)F
InChIInChI=1S/C7H4F12O/c8-2(5(12,13)14)4(10,11)1-20-7(18,19)3(9)6(15,16)17/h2-3H,1H2/t2-,3-/m0/s1
InChIKeyGQQWJNYJEIXIED-HRFVKAFMSA-N
XLogP4.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.08
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2S)-1,1,1,2,3,3-hexafluoro-4-[(2R)-1,1,2,3,3,3-hexafluoropropoxy]butane with MolForge

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Related Compounds

(2R)-1,1,1,2,3,3-hexafluoro-4-[(2S)-1,1,2,3,3,3-hexafluoropropoxy]butane
CID 98454448
(2R)-1,1,1,2,3,3-hexafluoro-3-(2,2,2-trifluoroethoxy)propane
CID 97291102
1,1,1,3,3-pentafluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)butane
CID 11623808
(2R)-4-[bis[(3R)-2,2,3,4,4,4-hexafluorobutoxy]methoxy]-1,1,1,2,3,3-hexafluorobutane
CID 99769513
2,2,4,4,6,6-hexakis(2,2,3,4,4,4-hexafluorobutoxy)-1,3,5,2,4,6-triazatriphosphinane-2,4,6-triium
CID 57148375
2,2,3,4,4,4-hexafluorobutyl carbonochloridate
CID 112758175
[(3S)-2,2,3,4,4,4-hexafluorobutyl] methanesulfonate
CID 98041542
2,2,3,4,4,4-hexafluorobutan-1-ol
CID 533990
1,3-bis(1,1,2,2-tetrafluoroethoxy)-2,2-bis(1,1,2,2-tetrafluoroethoxymethyl)propane
CID 15155951
3-(2,2,3,4,4,4-hexafluorobutoxy)propane-1,2-diol
CID 112758141
1-O-(2,2,3,4,4,4-hexafluorobutyl) 4-O-(2,2,3,3-tetrafluoropropyl) butanedioate
CID 91739714
butyl 2,2,3,4,4,4-hexafluorobutyl carbonate
CID 112758192

Frequently Asked Questions

What is the IUPAC name of (2S)-1,1,1,2,3,3-hexafluoro-4-[(2R)-1,1,2,3,3,3-hexafluoropropoxy]butane?
The IUPAC name of (2S)-1,1,1,2,3,3-hexafluoro-4-[(2R)-1,1,2,3,3,3-hexafluoropropoxy]butane (CID 98454452) is (2S)-1,1,1,2,3,3-hexafluoro-4-[(2R)-1,1,2,3,3,3-hexafluoropropoxy]butane.
What is the SMILES notation for (2S)-1,1,1,2,3,3-hexafluoro-4-[(2R)-1,1,2,3,3,3-hexafluoropropoxy]butane?
The canonical SMILES for (2S)-1,1,1,2,3,3-hexafluoro-4-[(2R)-1,1,2,3,3,3-hexafluoropropoxy]butane is F[C@H](C(F)(F)F)C(F)(F)COC(F)(F)[C@@H](F)C(F)(F)F.
What is the InChIKey of (2S)-1,1,1,2,3,3-hexafluoro-4-[(2R)-1,1,2,3,3,3-hexafluoropropoxy]butane?
The InChIKey is GQQWJNYJEIXIED-HRFVKAFMSA-N. The full InChI is InChI=1S/C7H4F12O/c8-2(5(12,13)14)4(10,11)1-20-7(18,19)3(9)6(15,16)17/h2-3H,1H2/t2-,3-/m0/s1.
What are the key properties of (2S)-1,1,1,2,3,3-hexafluoro-4-[(2R)-1,1,2,3,3,3-hexafluoropropoxy]butane?
(2S)-1,1,1,2,3,3-hexafluoro-4-[(2R)-1,1,2,3,3,3-hexafluoropropoxy]butane has a molecular weight of 332.08 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,1,1,2,3,3-hexafluoro-4-[(2R)-1,1,2,3,3,3-hexafluoropropoxy]butane is sourced from PubChem (CID 98454452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).