7'-(1,1,1,6,6,6-hexafluoro-4-methylhexa-2,3-dien-2-yl)spiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]

C19H18F6O2 — CID 154708674

IUPAC7'-(1,1,1,6,6,6-hexafluoro-4-methylhexa-2,3-dien-2-yl)spiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]
SMILESCC(=C=C(c1ccc2c(c1)CCC1(C2)OCCO1)C(F)(F)F)CC(F)(F)F
InChIInChI=1S/C19H18F6O2/c1-12(10-18(20,21)22)8-16(19(23,24)25)14-2-3-15-11-17(26-6-7-27-17)5-4-13(15)9-14/h2-3,9H,4-7,10-11H2,1H3
InChIKeyGNWJJKDCVLEIKP-UHFFFAOYSA-N
MW392.34 g/mol
LogP5.36
Rot. Bonds2

About 7'-(1,1,1,6,6,6-hexafluoro-4-methylhexa-2,3-dien-2-yl)spiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]

7'-(1,1,1,6,6,6-hexafluoro-4-methylhexa-2,3-dien-2-yl)spiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene] (PubChem CID 154708674) has the molecular formula C19H18F6O2 and a molecular weight of 392.34 g/mol. Its IUPAC name is 7'-(1,1,1,6,6,6-hexafluoro-4-methylhexa-2,3-dien-2-yl)spiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene].

Molecular Properties

Compound Name7'-(1,1,1,6,6,6-hexafluoro-4-methylhexa-2,3-dien-2-yl)spiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]
PubChem CID154708674
Molecular FormulaC19H18F6O2
Molecular Weight392.34 g/mol
Exact Mass392.12
IUPAC Name7'-(1,1,1,6,6,6-hexafluoro-4-methylhexa-2,3-dien-2-yl)spiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]
SMILESCC(=C=C(c1ccc2c(c1)CCC1(C2)OCCO1)C(F)(F)F)CC(F)(F)F
InChIInChI=1S/C19H18F6O2/c1-12(10-18(20,21)22)8-16(19(23,24)25)14-2-3-15-11-17(26-6-7-27-17)5-4-13(15)9-14/h2-3,9H,4-7,10-11H2,1H3
InChIKeyGNWJJKDCVLEIKP-UHFFFAOYSA-N
XLogP5.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.34
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7'-(1,1,1,6,6,6-hexafluoro-4-methylhexa-2,3-dien-2-yl)spiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene] with MolForge

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Related Compounds

8-(2,6-Difluoro-4-propylphenyl)-1,4-dioxaspiro[4.5]decane
CID 18979637
8-(2,6-Difluoro-4-propylphenyl)-1,4-dioxaspiro[4.5]dec-7-ene
CID 18979666
5'-(trifluoromethyl)spiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]
CID 20714609
(4'aS,8'aS)-7'-(3,5-difluorophenyl)spiro[1,3-dioxolane-2,3'-2,4,4a,5,6,8a-hexahydro-1H-naphthalene]
CID 20807871
(4'aS,8'aR)-3'-(3,5-difluorophenyl)spiro[1,3-dioxolane-2,7'-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene]
CID 20808469
(4'aS,4'bR,8'aR,10'aS)-2'-(3,4,5-trifluorophenyl)spiro[1,3-dioxolane-2,7'-2,3,4,4a,4b,5,6,8,8a,9,10,10a-dodecahydro-1H-phenanthrene]
CID 21032828
7'-(3,4,5-trifluorophenyl)spiro[1,3-dioxolane-2,2'-3,4,4a,4b,5,6,8a,9,10,10a-decahydro-1H-phenanthrene]
CID 21032944
3-Methyl-8-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]cyclohex-3-en-1-yl]-1,4-dioxaspiro[4.5]decane
CID 21459438
2'-(3,4,5-trifluorophenyl)spiro[1,3-dioxolane-2,7'-2,3,4,4a,4b,5,6,8,8a,9,10,10a-dodecahydro-1H-phenanthrene]
CID 22045557
(E)-8-phenyl-8-{3-[3,5-bis(trifluoromethyl)phenyl]prop-1-enyl}1,4-dioxaspiro[4.5]decane
CID 22293462
7'-(3,5-difluorophenyl)spiro[1,3-dioxolane-2,3'-2,4,4a,5,6,8a-hexahydro-1H-naphthalene]
CID 22383518
3'-(3,5-difluorophenyl)spiro[1,3-dioxolane-2,7'-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene]
CID 22383964

Frequently Asked Questions

What is the IUPAC name of 7'-(1,1,1,6,6,6-hexafluoro-4-methylhexa-2,3-dien-2-yl)spiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]?
The IUPAC name of 7'-(1,1,1,6,6,6-hexafluoro-4-methylhexa-2,3-dien-2-yl)spiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene] (CID 154708674) is 7'-(1,1,1,6,6,6-hexafluoro-4-methylhexa-2,3-dien-2-yl)spiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene].
What is the SMILES notation for 7'-(1,1,1,6,6,6-hexafluoro-4-methylhexa-2,3-dien-2-yl)spiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]?
The canonical SMILES for 7'-(1,1,1,6,6,6-hexafluoro-4-methylhexa-2,3-dien-2-yl)spiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene] is CC(=C=C(c1ccc2c(c1)CCC1(C2)OCCO1)C(F)(F)F)CC(F)(F)F.
What is the InChIKey of 7'-(1,1,1,6,6,6-hexafluoro-4-methylhexa-2,3-dien-2-yl)spiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]?
The InChIKey is GNWJJKDCVLEIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F6O2/c1-12(10-18(20,21)22)8-16(19(23,24)25)14-2-3-15-11-17(26-6-7-27-17)5-4-13(15)9-14/h2-3,9H,4-7,10-11H2,1H3.
What are the key properties of 7'-(1,1,1,6,6,6-hexafluoro-4-methylhexa-2,3-dien-2-yl)spiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]?
7'-(1,1,1,6,6,6-hexafluoro-4-methylhexa-2,3-dien-2-yl)spiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene] has a molecular weight of 392.34 g/mol, XLogP of 5.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-(1,1,1,6,6,6-hexafluoro-4-methylhexa-2,3-dien-2-yl)spiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene] is sourced from PubChem (CID 154708674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).