1-[(5-cyclohexylcyclohexa-1,3-dien-1-yl)methyl]-4-fluorobenzene

C19H23F — CID 173180273

IUPAC1-[(5-cyclohexylcyclohexa-1,3-dien-1-yl)methyl]-4-fluorobenzene
SMILESFc1ccc(CC2=CC=CC(C3CCCCC3)C2)cc1
InChIInChI=1S/C19H23F/c20-19-11-9-15(10-12-19)13-16-5-4-8-18(14-16)17-6-2-1-3-7-17/h4-5,8-12,17-18H,1-3,6-7,13-14H2
InChIKeyFIZPXKDNESWMMP-UHFFFAOYSA-N
MW270.39 g/mol
LogP5.45
Rot. Bonds3

About 1-[(5-cyclohexylcyclohexa-1,3-dien-1-yl)methyl]-4-fluorobenzene

1-[(5-cyclohexylcyclohexa-1,3-dien-1-yl)methyl]-4-fluorobenzene (PubChem CID 173180273) has the molecular formula C19H23F and a molecular weight of 270.39 g/mol. Its IUPAC name is 1-[(5-cyclohexylcyclohexa-1,3-dien-1-yl)methyl]-4-fluorobenzene.

Molecular Properties

Compound Name1-[(5-cyclohexylcyclohexa-1,3-dien-1-yl)methyl]-4-fluorobenzene
PubChem CID173180273
Molecular FormulaC19H23F
Molecular Weight270.39 g/mol
Exact Mass270.18
IUPAC Name1-[(5-cyclohexylcyclohexa-1,3-dien-1-yl)methyl]-4-fluorobenzene
SMILESFc1ccc(CC2=CC=CC(C3CCCCC3)C2)cc1
InChIInChI=1S/C19H23F/c20-19-11-9-15(10-12-19)13-16-5-4-8-18(14-16)17-6-2-1-3-7-17/h4-5,8-12,17-18H,1-3,6-7,13-14H2
InChIKeyFIZPXKDNESWMMP-UHFFFAOYSA-N
XLogP5.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.39
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-cyclohexylcyclohexa-1,3-dien-1-yl)methyl]-4-fluorobenzene?
The IUPAC name of 1-[(5-cyclohexylcyclohexa-1,3-dien-1-yl)methyl]-4-fluorobenzene (CID 173180273) is 1-[(5-cyclohexylcyclohexa-1,3-dien-1-yl)methyl]-4-fluorobenzene.
What is the SMILES notation for 1-[(5-cyclohexylcyclohexa-1,3-dien-1-yl)methyl]-4-fluorobenzene?
The canonical SMILES for 1-[(5-cyclohexylcyclohexa-1,3-dien-1-yl)methyl]-4-fluorobenzene is Fc1ccc(CC2=CC=CC(C3CCCCC3)C2)cc1.
What is the InChIKey of 1-[(5-cyclohexylcyclohexa-1,3-dien-1-yl)methyl]-4-fluorobenzene?
The InChIKey is FIZPXKDNESWMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F/c20-19-11-9-15(10-12-19)13-16-5-4-8-18(14-16)17-6-2-1-3-7-17/h4-5,8-12,17-18H,1-3,6-7,13-14H2.
What are the key properties of 1-[(5-cyclohexylcyclohexa-1,3-dien-1-yl)methyl]-4-fluorobenzene?
1-[(5-cyclohexylcyclohexa-1,3-dien-1-yl)methyl]-4-fluorobenzene has a molecular weight of 270.39 g/mol, XLogP of 5.45, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-cyclohexylcyclohexa-1,3-dien-1-yl)methyl]-4-fluorobenzene is sourced from PubChem (CID 173180273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).