1,4-bis[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene

C20H22F12O4 — CID 157142013

IUPAC1,4-bis[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene
SMILESCCOC(C)OC(c1ccc(C(OC(C)OCC)(C(F)(F)F)C(F)(F)F)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C20H22F12O4/c1-5-33-11(3)35-15(17(21,22)23,18(24,25)26)13-7-9-14(10-8-13)16(19(27,28)29,20(30,31)32)36-12(4)34-6-2/h7-12H,5-6H2,1-4H3
InChIKeyRUGKDGKUQQGBHZ-UHFFFAOYSA-N
MW554.37 g/mol
LogP7.12
Rot. Bonds10

About 1,4-bis[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene

1,4-bis[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene (PubChem CID 157142013) has the molecular formula C20H22F12O4 and a molecular weight of 554.37 g/mol. Its IUPAC name is 1,4-bis[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene.

Molecular Properties

Compound Name1,4-bis[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene
PubChem CID157142013
Molecular FormulaC20H22F12O4
Molecular Weight554.37 g/mol
Exact Mass554.13
IUPAC Name1,4-bis[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene
SMILESCCOC(C)OC(c1ccc(C(OC(C)OCC)(C(F)(F)F)C(F)(F)F)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C20H22F12O4/c1-5-33-11(3)35-15(17(21,22)23,18(24,25)26)13-7-9-14(10-8-13)16(19(27,28)29,20(30,31)32)36-12(4)34-6-2/h7-12H,5-6H2,1-4H3
InChIKeyRUGKDGKUQQGBHZ-UHFFFAOYSA-N
XLogP7.12
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.37
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-3-propylbenzene
CID 20728984
1-[1,1-bis[4-(1-ethoxyethoxy)phenyl]ethyl]-4-(1-ethoxyethoxy)benzene
CID 22726285
2-[3-(1-ethoxyethoxy)-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 58720461
1,1-diethoxyethane
CID 7765
1,4-bis(1-ethoxyethoxy)benzene
CID 10934047
1,1-diethoxyethane;N-methylmethanamine
CID 90073696
1,1-diethoxyethane;stannane
CID 87529398
1,1-diethoxyethane;sulfane
CID 87563963
1-(2-methylbutan-2-yl)-4-[1-(2,2,3,3,3-pentafluoropropoxy)ethoxy]benzene
CID 20756247
3-ethoxy-1-[4-(trifluoromethyl)phenyl]butan-2-amine
CID 64541975
1,1-diethoxyethane;1,3,5-trimethylbenzene
CID 66684886
diethoxymethoxy-[4-(trifluoromethyl)phenyl]silane
CID 154180354

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene?
The IUPAC name of 1,4-bis[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene (CID 157142013) is 1,4-bis[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene.
What is the SMILES notation for 1,4-bis[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene?
The canonical SMILES for 1,4-bis[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene is CCOC(C)OC(c1ccc(C(OC(C)OCC)(C(F)(F)F)C(F)(F)F)cc1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,4-bis[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene?
The InChIKey is RUGKDGKUQQGBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F12O4/c1-5-33-11(3)35-15(17(21,22)23,18(24,25)26)13-7-9-14(10-8-13)16(19(27,28)29,20(30,31)32)36-12(4)34-6-2/h7-12H,5-6H2,1-4H3.
What are the key properties of 1,4-bis[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene?
1,4-bis[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene has a molecular weight of 554.37 g/mol, XLogP of 7.12, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene is sourced from PubChem (CID 157142013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).