1-(4-fluorophenyl)-5-propan-2-ylazulene

C19H17F — CID 19815703

IUPAC1-(4-fluorophenyl)-5-propan-2-ylazulene
SMILESCC(C)c1cccc2c(-c3ccc(F)cc3)ccc-2c1
InChIInChI=1S/C19H17F/c1-13(2)15-4-3-5-18-16(12-15)8-11-19(18)14-6-9-17(20)10-7-14/h3-13H,1-2H3
InChIKeyDEACUVFHOPLOCQ-UHFFFAOYSA-N
MW264.34 g/mol
LogP5.72
Rot. Bonds2

About 1-(4-fluorophenyl)-5-propan-2-ylazulene

1-(4-fluorophenyl)-5-propan-2-ylazulene (PubChem CID 19815703) has the molecular formula C19H17F and a molecular weight of 264.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-propan-2-ylazulene.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-propan-2-ylazulene
PubChem CID19815703
Molecular FormulaC19H17F
Molecular Weight264.34 g/mol
Exact Mass264.13
IUPAC Name1-(4-fluorophenyl)-5-propan-2-ylazulene
SMILESCC(C)c1cccc2c(-c3ccc(F)cc3)ccc-2c1
InChIInChI=1S/C19H17F/c1-13(2)15-4-3-5-18-16(12-15)8-11-19(18)14-6-9-17(20)10-7-14/h3-13H,1-2H3
InChIKeyDEACUVFHOPLOCQ-UHFFFAOYSA-N
XLogP5.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.34
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-propan-2-ylazulene?
The IUPAC name of 1-(4-fluorophenyl)-5-propan-2-ylazulene (CID 19815703) is 1-(4-fluorophenyl)-5-propan-2-ylazulene.
What is the SMILES notation for 1-(4-fluorophenyl)-5-propan-2-ylazulene?
The canonical SMILES for 1-(4-fluorophenyl)-5-propan-2-ylazulene is CC(C)c1cccc2c(-c3ccc(F)cc3)ccc-2c1.
What is the InChIKey of 1-(4-fluorophenyl)-5-propan-2-ylazulene?
The InChIKey is DEACUVFHOPLOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F/c1-13(2)15-4-3-5-18-16(12-15)8-11-19(18)14-6-9-17(20)10-7-14/h3-13H,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-5-propan-2-ylazulene?
1-(4-fluorophenyl)-5-propan-2-ylazulene has a molecular weight of 264.34 g/mol, XLogP of 5.72, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-propan-2-ylazulene is sourced from PubChem (CID 19815703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).