(4E)-4-[fluoro(phenyl)methylidene]spiro[4.5]dec-9-ene

C17H19F — CID 71722676

IUPAC(4E)-4-[fluoro(phenyl)methylidene]spiro[4.5]dec-9-ene
SMILESF/C(=C1\CCCC12C=CCCC2)c1ccccc1
InChIInChI=1S/C17H19F/c18-16(14-8-3-1-4-9-14)15-10-7-13-17(15)11-5-2-6-12-17/h1,3-5,8-9,11H,2,6-7,10,12-13H2/b16-15+
InChIKeyQUCUJMJAZJQYIO-FOCLMDBBSA-N
MW242.34 g/mol
LogP5.28
Rot. Bonds1

About (4E)-4-[fluoro(phenyl)methylidene]spiro[4.5]dec-9-ene

(4E)-4-[fluoro(phenyl)methylidene]spiro[4.5]dec-9-ene (PubChem CID 71722676) has the molecular formula C17H19F and a molecular weight of 242.34 g/mol. Its IUPAC name is (4E)-4-[fluoro(phenyl)methylidene]spiro[4.5]dec-9-ene.

Molecular Properties

Compound Name(4E)-4-[fluoro(phenyl)methylidene]spiro[4.5]dec-9-ene
PubChem CID71722676
Molecular FormulaC17H19F
Molecular Weight242.34 g/mol
Exact Mass242.15
IUPAC Name(4E)-4-[fluoro(phenyl)methylidene]spiro[4.5]dec-9-ene
SMILESF/C(=C1\CCCC12C=CCCC2)c1ccccc1
InChIInChI=1S/C17H19F/c18-16(14-8-3-1-4-9-14)15-10-7-13-17(15)11-5-2-6-12-17/h1,3-5,8-9,11H,2,6-7,10,12-13H2/b16-15+
InChIKeyQUCUJMJAZJQYIO-FOCLMDBBSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.34
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(4E)-4-[chloro-(4-phenylphenyl)methylidene]spiro[4.5]dec-9-ene
CID 134946135
(2-bromophenyl)-(1-methylcyclohex-2-en-1-yl)methanone
CID 155973420
7-fluorospiro[2H-1-benzofuran-3,3'-cyclohexene]-4-carboxamide
CID 132919328
1-phenylmethoxycyclohex-2-ene-1-carboxylic acid
CID 150519089
(2R)-2-methyl-2-[(1S)-1-methylcyclohex-2-en-1-yl]-3-phenylpropanoic acid
CID 135040355
2-morpholin-4-ylethyl (1S)-1-phenylcyclohex-2-ene-1-carboxylate
CID 162678587
(1-nitrocyclohex-2-en-1-yl)benzene
CID 10822018
4-[fluoro(phenyl)methylidene]pyrazolidine-3,5-dione
CID 175292798
N-[3-(3,5-dimethylphenyl)-1-oxa-2,4-diazaspiro[4.4]non-2-en-4-yl]benzamide
CID 24872210
(1-fluorocyclopropyl)-phenylmethanone
CID 18983537
spiro[3,5-dihydro-1H-2-benzazepine-4,3'-cyclohexene]-2-ylmethanol
CID 142106754
dimethyl-[3-(1-methylcyclohex-2-en-1-yl)prop-1-en-2-yl]-phenylsilane
CID 139263773

Frequently Asked Questions

What is the IUPAC name of (4E)-4-[fluoro(phenyl)methylidene]spiro[4.5]dec-9-ene?
The IUPAC name of (4E)-4-[fluoro(phenyl)methylidene]spiro[4.5]dec-9-ene (CID 71722676) is (4E)-4-[fluoro(phenyl)methylidene]spiro[4.5]dec-9-ene.
What is the SMILES notation for (4E)-4-[fluoro(phenyl)methylidene]spiro[4.5]dec-9-ene?
The canonical SMILES for (4E)-4-[fluoro(phenyl)methylidene]spiro[4.5]dec-9-ene is F/C(=C1\CCCC12C=CCCC2)c1ccccc1.
What is the InChIKey of (4E)-4-[fluoro(phenyl)methylidene]spiro[4.5]dec-9-ene?
The InChIKey is QUCUJMJAZJQYIO-FOCLMDBBSA-N. The full InChI is InChI=1S/C17H19F/c18-16(14-8-3-1-4-9-14)15-10-7-13-17(15)11-5-2-6-12-17/h1,3-5,8-9,11H,2,6-7,10,12-13H2/b16-15+.
What are the key properties of (4E)-4-[fluoro(phenyl)methylidene]spiro[4.5]dec-9-ene?
(4E)-4-[fluoro(phenyl)methylidene]spiro[4.5]dec-9-ene has a molecular weight of 242.34 g/mol, XLogP of 5.28, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[fluoro(phenyl)methylidene]spiro[4.5]dec-9-ene is sourced from PubChem (CID 71722676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).