2-[2-[3-butan-2-yl-5-[1,1,1,3,3,3-hexafluoro-2-(2-hydroxyethoxy)propan-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyethanol

C20H22F12O4 — CID 58820908

IUPAC2-[2-[3-butan-2-yl-5-[1,1,1,3,3,3-hexafluoro-2-(2-hydroxyethoxy)propan-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyethanol
SMILESCCC(C)c1cc(C(OCCO)(C(F)(F)F)C(F)(F)F)cc(C(OCCO)(C(F)(F)F)C(F)(F)F)c1
InChIInChI=1S/C20H22F12O4/c1-3-11(2)12-8-13(15(17(21,22)23,18(24,25)26)35-6-4-33)10-14(9-12)16(19(27,28)29,20(30,31)32)36-7-5-34/h8-11,33-34H,3-7H2,1-2H3
InChIKeyGFCIUMAJTIREOZ-UHFFFAOYSA-N
MW554.37 g/mol
LogP5.86
Rot. Bonds10

About 2-[2-[3-butan-2-yl-5-[1,1,1,3,3,3-hexafluoro-2-(2-hydroxyethoxy)propan-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyethanol

2-[2-[3-butan-2-yl-5-[1,1,1,3,3,3-hexafluoro-2-(2-hydroxyethoxy)propan-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyethanol (PubChem CID 58820908) has the molecular formula C20H22F12O4 and a molecular weight of 554.37 g/mol. Its IUPAC name is 2-[2-[3-butan-2-yl-5-[1,1,1,3,3,3-hexafluoro-2-(2-hydroxyethoxy)propan-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyethanol.

Molecular Properties

Compound Name2-[2-[3-butan-2-yl-5-[1,1,1,3,3,3-hexafluoro-2-(2-hydroxyethoxy)propan-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyethanol
PubChem CID58820908
Molecular FormulaC20H22F12O4
Molecular Weight554.37 g/mol
Exact Mass554.13
IUPAC Name2-[2-[3-butan-2-yl-5-[1,1,1,3,3,3-hexafluoro-2-(2-hydroxyethoxy)propan-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyethanol
SMILESCCC(C)c1cc(C(OCCO)(C(F)(F)F)C(F)(F)F)cc(C(OCCO)(C(F)(F)F)C(F)(F)F)c1
InChIInChI=1S/C20H22F12O4/c1-3-11(2)12-8-13(15(17(21,22)23,18(24,25)26)35-6-4-33)10-14(9-12)16(19(27,28)29,20(30,31)32)36-7-5-34/h8-11,33-34H,3-7H2,1-2H3
InChIKeyGFCIUMAJTIREOZ-UHFFFAOYSA-N
XLogP5.86
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.37
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-[3-butan-2-yl-5-[1,1,1,3,3,3-hexafluoro-2-(2-hydroxyethoxy)propan-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyethanol with MolForge

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Launch Full Analysis

Related Compounds

1-butan-2-yl-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-5-[1,1,1,3,3,3-hexafluoro-2-(prop-1-ynoxymethoxy)propan-2-yl]benzene;hydrate
CID 91481776
1-[(2R)-butan-2-yl]-3-chloro-5-(trifluoromethyl)benzene
CID 118120315
2-(3-butan-2-ylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 23533128
CID 145483057
CID 145483057
2-[3-butan-2-yl-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2,3,3,4,4,5,5,6-octafluorotricyclo[5.2.1.02,6]decane
CID 91433541
5-butan-2-yl-2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-1,3-bis(trifluoromethyl)benzene
CID 20770048
1-butan-2-yl-4-[1,1,1-trifluoro-2-(2,2,2-trifluoroethoxy)propan-2-yl]benzene
CID 20771640
1-butan-2-yl-4-(1,1,1-trifluoro-2-methoxypropan-2-yl)benzene
CID 20771639
2-(4-butan-2-ylphenyl)-1,1,1,3,3-pentafluoropropan-2-ol
CID 20756244
2-(4-butan-2-ylphenyl)-2,2-difluoroacetonitrile
CID 116840569
2-hydroxyethyl 4-butan-2-ylbenzoate
CID 116862879
2-[1-(2-hydroxyethoxy)-1,2-diphenylpropoxy]ethanol
CID 70602135

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-butan-2-yl-5-[1,1,1,3,3,3-hexafluoro-2-(2-hydroxyethoxy)propan-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyethanol?
The IUPAC name of 2-[2-[3-butan-2-yl-5-[1,1,1,3,3,3-hexafluoro-2-(2-hydroxyethoxy)propan-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyethanol (CID 58820908) is 2-[2-[3-butan-2-yl-5-[1,1,1,3,3,3-hexafluoro-2-(2-hydroxyethoxy)propan-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyethanol.
What is the SMILES notation for 2-[2-[3-butan-2-yl-5-[1,1,1,3,3,3-hexafluoro-2-(2-hydroxyethoxy)propan-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyethanol?
The canonical SMILES for 2-[2-[3-butan-2-yl-5-[1,1,1,3,3,3-hexafluoro-2-(2-hydroxyethoxy)propan-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyethanol is CCC(C)c1cc(C(OCCO)(C(F)(F)F)C(F)(F)F)cc(C(OCCO)(C(F)(F)F)C(F)(F)F)c1.
What is the InChIKey of 2-[2-[3-butan-2-yl-5-[1,1,1,3,3,3-hexafluoro-2-(2-hydroxyethoxy)propan-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyethanol?
The InChIKey is GFCIUMAJTIREOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F12O4/c1-3-11(2)12-8-13(15(17(21,22)23,18(24,25)26)35-6-4-33)10-14(9-12)16(19(27,28)29,20(30,31)32)36-7-5-34/h8-11,33-34H,3-7H2,1-2H3.
What are the key properties of 2-[2-[3-butan-2-yl-5-[1,1,1,3,3,3-hexafluoro-2-(2-hydroxyethoxy)propan-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyethanol?
2-[2-[3-butan-2-yl-5-[1,1,1,3,3,3-hexafluoro-2-(2-hydroxyethoxy)propan-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyethanol has a molecular weight of 554.37 g/mol, XLogP of 5.86, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-butan-2-yl-5-[1,1,1,3,3,3-hexafluoro-2-(2-hydroxyethoxy)propan-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyethanol is sourced from PubChem (CID 58820908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).