(1E)-3-ethyl-5-fluoro-2-methyl-1-[(4-methylphenyl)methylidene]indene

C20H19F — CID 90131086

IUPAC(1E)-3-ethyl-5-fluoro-2-methyl-1-[(4-methylphenyl)methylidene]indene
SMILESCCC1=C(C)/C(=C\c2ccc(C)cc2)c2ccc(F)cc21
InChIInChI=1S/C20H19F/c1-4-17-14(3)19(11-15-7-5-13(2)6-8-15)18-10-9-16(21)12-20(17)18/h5-12H,4H2,1-3H3/b19-11+
InChIKeyNFTWOTCHVWLBOK-YBFXNURJSA-N
MW278.37 g/mol
LogP5.87
Rot. Bonds2

About (1E)-3-ethyl-5-fluoro-2-methyl-1-[(4-methylphenyl)methylidene]indene

(1E)-3-ethyl-5-fluoro-2-methyl-1-[(4-methylphenyl)methylidene]indene (PubChem CID 90131086) has the molecular formula C20H19F and a molecular weight of 278.37 g/mol. Its IUPAC name is (1E)-3-ethyl-5-fluoro-2-methyl-1-[(4-methylphenyl)methylidene]indene.

Molecular Properties

Compound Name(1E)-3-ethyl-5-fluoro-2-methyl-1-[(4-methylphenyl)methylidene]indene
PubChem CID90131086
Molecular FormulaC20H19F
Molecular Weight278.37 g/mol
Exact Mass278.15
IUPAC Name(1E)-3-ethyl-5-fluoro-2-methyl-1-[(4-methylphenyl)methylidene]indene
SMILESCCC1=C(C)/C(=C\c2ccc(C)cc2)c2ccc(F)cc21
InChIInChI=1S/C20H19F/c1-4-17-14(3)19(11-15-7-5-13(2)6-8-15)18-10-9-16(21)12-20(17)18/h5-12H,4H2,1-3H3/b19-11+
InChIKeyNFTWOTCHVWLBOK-YBFXNURJSA-N
XLogP5.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.37
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E)-3-ethyl-5-fluoro-2-methyl-1-[(4-methylphenyl)methylidene]indene?
The IUPAC name of (1E)-3-ethyl-5-fluoro-2-methyl-1-[(4-methylphenyl)methylidene]indene (CID 90131086) is (1E)-3-ethyl-5-fluoro-2-methyl-1-[(4-methylphenyl)methylidene]indene.
What is the SMILES notation for (1E)-3-ethyl-5-fluoro-2-methyl-1-[(4-methylphenyl)methylidene]indene?
The canonical SMILES for (1E)-3-ethyl-5-fluoro-2-methyl-1-[(4-methylphenyl)methylidene]indene is CCC1=C(C)/C(=C\c2ccc(C)cc2)c2ccc(F)cc21.
What is the InChIKey of (1E)-3-ethyl-5-fluoro-2-methyl-1-[(4-methylphenyl)methylidene]indene?
The InChIKey is NFTWOTCHVWLBOK-YBFXNURJSA-N. The full InChI is InChI=1S/C20H19F/c1-4-17-14(3)19(11-15-7-5-13(2)6-8-15)18-10-9-16(21)12-20(17)18/h5-12H,4H2,1-3H3/b19-11+.
What are the key properties of (1E)-3-ethyl-5-fluoro-2-methyl-1-[(4-methylphenyl)methylidene]indene?
(1E)-3-ethyl-5-fluoro-2-methyl-1-[(4-methylphenyl)methylidene]indene has a molecular weight of 278.37 g/mol, XLogP of 5.87, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-3-ethyl-5-fluoro-2-methyl-1-[(4-methylphenyl)methylidene]indene is sourced from PubChem (CID 90131086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).