1-[4-[1,1,1,3,3,3-hexafluoro-2-(4-naphthalen-1-yloxyphenyl)propan-2-yl]phenoxy]naphthalene

C35H22F6O2 — CID 19879616

IUPAC1-[4-[1,1,1,3,3,3-hexafluoro-2-(4-naphthalen-1-yloxyphenyl)propan-2-yl]phenoxy]naphthalene
SMILESFC(F)(F)C(c1ccc(Oc2cccc3ccccc23)cc1)(c1ccc(Oc2cccc3ccccc23)cc1)C(F)(F)F
InChIInChI=1S/C35H22F6O2/c36-34(37,38)33(35(39,40)41,25-15-19-27(20-16-25)42-31-13-5-9-23-7-1-3-11-29(23)31)26-17-21-28(22-18-26)43-32-14-6-10-24-8-2-4-12-30(24)32/h1-22H
InChIKeyRCOKHFWOPAVRLW-UHFFFAOYSA-N
MW588.55 g/mol
LogP10.99
Rot. Bonds6

About 1-[4-[1,1,1,3,3,3-hexafluoro-2-(4-naphthalen-1-yloxyphenyl)propan-2-yl]phenoxy]naphthalene

1-[4-[1,1,1,3,3,3-hexafluoro-2-(4-naphthalen-1-yloxyphenyl)propan-2-yl]phenoxy]naphthalene (PubChem CID 19879616) has the molecular formula C35H22F6O2 and a molecular weight of 588.55 g/mol. Its IUPAC name is 1-[4-[1,1,1,3,3,3-hexafluoro-2-(4-naphthalen-1-yloxyphenyl)propan-2-yl]phenoxy]naphthalene.

Molecular Properties

Compound Name1-[4-[1,1,1,3,3,3-hexafluoro-2-(4-naphthalen-1-yloxyphenyl)propan-2-yl]phenoxy]naphthalene
PubChem CID19879616
Molecular FormulaC35H22F6O2
Molecular Weight588.55 g/mol
Exact Mass588.15
IUPAC Name1-[4-[1,1,1,3,3,3-hexafluoro-2-(4-naphthalen-1-yloxyphenyl)propan-2-yl]phenoxy]naphthalene
SMILESFC(F)(F)C(c1ccc(Oc2cccc3ccccc23)cc1)(c1ccc(Oc2cccc3ccccc23)cc1)C(F)(F)F
InChIInChI=1S/C35H22F6O2/c36-34(37,38)33(35(39,40)41,25-15-19-27(20-16-25)42-31-13-5-9-23-7-1-3-11-29(23)31)26-17-21-28(22-18-26)43-32-14-6-10-24-8-2-4-12-30(24)32/h1-22H
InChIKeyRCOKHFWOPAVRLW-UHFFFAOYSA-N
XLogP10.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.55
LogP ≤ 510.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[1,1,1,3,3,3-hexafluoro-2-(4-naphthalen-1-yloxyphenyl)propan-2-yl]phenoxy]naphthalene?
The IUPAC name of 1-[4-[1,1,1,3,3,3-hexafluoro-2-(4-naphthalen-1-yloxyphenyl)propan-2-yl]phenoxy]naphthalene (CID 19879616) is 1-[4-[1,1,1,3,3,3-hexafluoro-2-(4-naphthalen-1-yloxyphenyl)propan-2-yl]phenoxy]naphthalene.
What is the SMILES notation for 1-[4-[1,1,1,3,3,3-hexafluoro-2-(4-naphthalen-1-yloxyphenyl)propan-2-yl]phenoxy]naphthalene?
The canonical SMILES for 1-[4-[1,1,1,3,3,3-hexafluoro-2-(4-naphthalen-1-yloxyphenyl)propan-2-yl]phenoxy]naphthalene is FC(F)(F)C(c1ccc(Oc2cccc3ccccc23)cc1)(c1ccc(Oc2cccc3ccccc23)cc1)C(F)(F)F.
What is the InChIKey of 1-[4-[1,1,1,3,3,3-hexafluoro-2-(4-naphthalen-1-yloxyphenyl)propan-2-yl]phenoxy]naphthalene?
The InChIKey is RCOKHFWOPAVRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22F6O2/c36-34(37,38)33(35(39,40)41,25-15-19-27(20-16-25)42-31-13-5-9-23-7-1-3-11-29(23)31)26-17-21-28(22-18-26)43-32-14-6-10-24-8-2-4-12-30(24)32/h1-22H.
What are the key properties of 1-[4-[1,1,1,3,3,3-hexafluoro-2-(4-naphthalen-1-yloxyphenyl)propan-2-yl]phenoxy]naphthalene?
1-[4-[1,1,1,3,3,3-hexafluoro-2-(4-naphthalen-1-yloxyphenyl)propan-2-yl]phenoxy]naphthalene has a molecular weight of 588.55 g/mol, XLogP of 10.99, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1,1,1,3,3,3-hexafluoro-2-(4-naphthalen-1-yloxyphenyl)propan-2-yl]phenoxy]naphthalene is sourced from PubChem (CID 19879616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).