2-ethyl-6-[(3,4,5,5,6-pentafluorocyclohexa-1,3-dien-1-yl)oxymethyl]naphthalene

C19H15F5O — CID 87862492

IUPAC2-ethyl-6-[(3,4,5,5,6-pentafluorocyclohexa-1,3-dien-1-yl)oxymethyl]naphthalene
SMILESCCc1ccc2cc(COC3=CC(F)=C(F)C(F)(F)C3F)ccc2c1
InChIInChI=1S/C19H15F5O/c1-2-11-3-5-14-8-12(4-6-13(14)7-11)10-25-16-9-15(20)17(21)19(23,24)18(16)22/h3-9,18H,2,10H2,1H3
InChIKeyMHJUCQBCGLWAOA-UHFFFAOYSA-N
MW354.32 g/mol
LogP5.94
Rot. Bonds4

About 2-ethyl-6-[(3,4,5,5,6-pentafluorocyclohexa-1,3-dien-1-yl)oxymethyl]naphthalene

2-ethyl-6-[(3,4,5,5,6-pentafluorocyclohexa-1,3-dien-1-yl)oxymethyl]naphthalene (PubChem CID 87862492) has the molecular formula C19H15F5O and a molecular weight of 354.32 g/mol. Its IUPAC name is 2-ethyl-6-[(3,4,5,5,6-pentafluorocyclohexa-1,3-dien-1-yl)oxymethyl]naphthalene.

Molecular Properties

Compound Name2-ethyl-6-[(3,4,5,5,6-pentafluorocyclohexa-1,3-dien-1-yl)oxymethyl]naphthalene
PubChem CID87862492
Molecular FormulaC19H15F5O
Molecular Weight354.32 g/mol
Exact Mass354.10
IUPAC Name2-ethyl-6-[(3,4,5,5,6-pentafluorocyclohexa-1,3-dien-1-yl)oxymethyl]naphthalene
SMILESCCc1ccc2cc(COC3=CC(F)=C(F)C(F)(F)C3F)ccc2c1
InChIInChI=1S/C19H15F5O/c1-2-11-3-5-14-8-12(4-6-13(14)7-11)10-25-16-9-15(20)17(21)19(23,24)18(16)22/h3-9,18H,2,10H2,1H3
InChIKeyMHJUCQBCGLWAOA-UHFFFAOYSA-N
XLogP5.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.32
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(Naphthalen-2-yl)oxirane
CID 30333
1-Naphthylmethyl methyl ether
CID 22195
2-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-biphenyl
CID 18546500
Naphthalan
CID 588214
9-Anthryloxirane
CID 43720
1-Pyrenyloxirane
CID 100333
1a,9a-Dihydrophenanthro(1,2-b)oxirene
CID 148323
1a,9c-Dihydrophenanthro(3,4-b)oxirene
CID 148324
Pyrene-1,2-oxide
CID 9543286
Benzanthracene-8,9-oxide
CID 36838
2-Naphthalen-1-yloxetane
CID 18412934
1-[[(E)-3-phenylprop-2-enoxy]methyl]naphthalene
CID 20141139

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-[(3,4,5,5,6-pentafluorocyclohexa-1,3-dien-1-yl)oxymethyl]naphthalene?
The IUPAC name of 2-ethyl-6-[(3,4,5,5,6-pentafluorocyclohexa-1,3-dien-1-yl)oxymethyl]naphthalene (CID 87862492) is 2-ethyl-6-[(3,4,5,5,6-pentafluorocyclohexa-1,3-dien-1-yl)oxymethyl]naphthalene.
What is the SMILES notation for 2-ethyl-6-[(3,4,5,5,6-pentafluorocyclohexa-1,3-dien-1-yl)oxymethyl]naphthalene?
The canonical SMILES for 2-ethyl-6-[(3,4,5,5,6-pentafluorocyclohexa-1,3-dien-1-yl)oxymethyl]naphthalene is CCc1ccc2cc(COC3=CC(F)=C(F)C(F)(F)C3F)ccc2c1.
What is the InChIKey of 2-ethyl-6-[(3,4,5,5,6-pentafluorocyclohexa-1,3-dien-1-yl)oxymethyl]naphthalene?
The InChIKey is MHJUCQBCGLWAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F5O/c1-2-11-3-5-14-8-12(4-6-13(14)7-11)10-25-16-9-15(20)17(21)19(23,24)18(16)22/h3-9,18H,2,10H2,1H3.
What are the key properties of 2-ethyl-6-[(3,4,5,5,6-pentafluorocyclohexa-1,3-dien-1-yl)oxymethyl]naphthalene?
2-ethyl-6-[(3,4,5,5,6-pentafluorocyclohexa-1,3-dien-1-yl)oxymethyl]naphthalene has a molecular weight of 354.32 g/mol, XLogP of 5.94, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-[(3,4,5,5,6-pentafluorocyclohexa-1,3-dien-1-yl)oxymethyl]naphthalene is sourced from PubChem (CID 87862492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).