9-[(E)-1,1,1,4,4,4-hexafluorobut-2-en-2-yl]phenanthrene

C18H10F6 — CID 154707500

IUPAC9-[(E)-1,1,1,4,4,4-hexafluorobut-2-en-2-yl]phenanthrene
SMILESFC(F)(F)/C=C(\c1cc2ccccc2c2ccccc12)C(F)(F)F
InChIInChI=1S/C18H10F6/c19-17(20,21)10-16(18(22,23)24)15-9-11-5-1-2-6-12(11)13-7-3-4-8-14(13)15/h1-10H/b16-10+
InChIKeyLOHBKTXQTMEVLH-MHWRWJLKSA-N
MW340.27 g/mol
LogP6.50
Rot. Bonds1

About 9-[(E)-1,1,1,4,4,4-hexafluorobut-2-en-2-yl]phenanthrene

9-[(E)-1,1,1,4,4,4-hexafluorobut-2-en-2-yl]phenanthrene (PubChem CID 154707500) has the molecular formula C18H10F6 and a molecular weight of 340.27 g/mol. Its IUPAC name is 9-[(E)-1,1,1,4,4,4-hexafluorobut-2-en-2-yl]phenanthrene.

Molecular Properties

Compound Name9-[(E)-1,1,1,4,4,4-hexafluorobut-2-en-2-yl]phenanthrene
PubChem CID154707500
Molecular FormulaC18H10F6
Molecular Weight340.27 g/mol
Exact Mass340.07
IUPAC Name9-[(E)-1,1,1,4,4,4-hexafluorobut-2-en-2-yl]phenanthrene
SMILESFC(F)(F)/C=C(\c1cc2ccccc2c2ccccc12)C(F)(F)F
InChIInChI=1S/C18H10F6/c19-17(20,21)10-16(18(22,23)24)15-9-11-5-1-2-6-12(11)13-7-3-4-8-14(13)15/h1-10H/b16-10+
InChIKeyLOHBKTXQTMEVLH-MHWRWJLKSA-N
XLogP6.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.27
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2,2-dichloro-1-phenanthren-9-ylethanone
CID 146007827
9-Phenanthrenoselenocarboxamide
CID 6329602
1-[4-[(E)-2-[4-[(E)-2-(4-acetylphenyl)-1-phenanthren-9-ylethenyl]phenyl]-2-phenanthren-9-ylethenyl]phenyl]ethanone
CID 11158386
tri(phenanthren-9-yl)arsane
CID 12755575
4-[(2-oxo-2-phenanthren-9-ylethylidene)amino]benzoic acid
CID 5272194
2-[(Z)-1,1,1,4,4,4-hexafluorobut-2-en-2-yl]sulfanylnaphthalene
CID 162407963
octacyclo[16.16.0.02,15.04,13.07,12.019,32.022,31.023,28]tetratriaconta-1(18),2,4(13),5,7,9,11,14,16,19(32),20,22(31),23,25,27,29,33-heptadecaene
CID 173096286
heptacyclo[16.12.0.03,16.04,13.07,12.019,28.022,27]triaconta-1,3(16),4(13),5,7,9,11,14,17,19(28),20,22,24,26,29-pentadecaene
CID 6431039
phenanthren-9-ylboronic acid
CID 158011086
7-oxo-7-phenanthren-9-ylheptanoic acid
CID 24726938
2,2,2-trifluoro-1-naphthalen-1-ylethanethione
CID 23496318
naphtho[1,2-b]phenanthrene
CID 5889

Frequently Asked Questions

What is the IUPAC name of 9-[(E)-1,1,1,4,4,4-hexafluorobut-2-en-2-yl]phenanthrene?
The IUPAC name of 9-[(E)-1,1,1,4,4,4-hexafluorobut-2-en-2-yl]phenanthrene (CID 154707500) is 9-[(E)-1,1,1,4,4,4-hexafluorobut-2-en-2-yl]phenanthrene.
What is the SMILES notation for 9-[(E)-1,1,1,4,4,4-hexafluorobut-2-en-2-yl]phenanthrene?
The canonical SMILES for 9-[(E)-1,1,1,4,4,4-hexafluorobut-2-en-2-yl]phenanthrene is FC(F)(F)/C=C(\c1cc2ccccc2c2ccccc12)C(F)(F)F.
What is the InChIKey of 9-[(E)-1,1,1,4,4,4-hexafluorobut-2-en-2-yl]phenanthrene?
The InChIKey is LOHBKTXQTMEVLH-MHWRWJLKSA-N. The full InChI is InChI=1S/C18H10F6/c19-17(20,21)10-16(18(22,23)24)15-9-11-5-1-2-6-12(11)13-7-3-4-8-14(13)15/h1-10H/b16-10+.
What are the key properties of 9-[(E)-1,1,1,4,4,4-hexafluorobut-2-en-2-yl]phenanthrene?
9-[(E)-1,1,1,4,4,4-hexafluorobut-2-en-2-yl]phenanthrene has a molecular weight of 340.27 g/mol, XLogP of 6.50, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(E)-1,1,1,4,4,4-hexafluorobut-2-en-2-yl]phenanthrene is sourced from PubChem (CID 154707500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).