1-[(3R)-2,3-dimethylcyclohexa-1,5-dien-1-yl]-2-fluorobenzene

C14H15F — CID 70807045

IUPAC1-[(3R)-2,3-dimethylcyclohexa-1,5-dien-1-yl]-2-fluorobenzene
SMILESCC1=C(c2ccccc2F)C=CC[C@H]1C
InChIInChI=1S/C14H15F/c1-10-6-5-8-12(11(10)2)13-7-3-4-9-14(13)15/h3-5,7-10H,6H2,1-2H3/t10-/m1/s1
InChIKeyPUIUIBSKFFQWOH-SNVBAGLBSA-N
MW202.27 g/mol
LogP4.20
Rot. Bonds1

About 1-[(3R)-2,3-dimethylcyclohexa-1,5-dien-1-yl]-2-fluorobenzene

1-[(3R)-2,3-dimethylcyclohexa-1,5-dien-1-yl]-2-fluorobenzene (PubChem CID 70807045) has the molecular formula C14H15F and a molecular weight of 202.27 g/mol. Its IUPAC name is 1-[(3R)-2,3-dimethylcyclohexa-1,5-dien-1-yl]-2-fluorobenzene.

Molecular Properties

Compound Name1-[(3R)-2,3-dimethylcyclohexa-1,5-dien-1-yl]-2-fluorobenzene
PubChem CID70807045
Molecular FormulaC14H15F
Molecular Weight202.27 g/mol
Exact Mass202.12
IUPAC Name1-[(3R)-2,3-dimethylcyclohexa-1,5-dien-1-yl]-2-fluorobenzene
SMILESCC1=C(c2ccccc2F)C=CC[C@H]1C
InChIInChI=1S/C14H15F/c1-10-6-5-8-12(11(10)2)13-7-3-4-9-14(13)15/h3-5,7-10H,6H2,1-2H3/t10-/m1/s1
InChIKeyPUIUIBSKFFQWOH-SNVBAGLBSA-N
XLogP4.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.27
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-2,3-dimethylcyclohexa-1,5-dien-1-yl]-2-fluorobenzene?
The IUPAC name of 1-[(3R)-2,3-dimethylcyclohexa-1,5-dien-1-yl]-2-fluorobenzene (CID 70807045) is 1-[(3R)-2,3-dimethylcyclohexa-1,5-dien-1-yl]-2-fluorobenzene.
What is the SMILES notation for 1-[(3R)-2,3-dimethylcyclohexa-1,5-dien-1-yl]-2-fluorobenzene?
The canonical SMILES for 1-[(3R)-2,3-dimethylcyclohexa-1,5-dien-1-yl]-2-fluorobenzene is CC1=C(c2ccccc2F)C=CC[C@H]1C.
What is the InChIKey of 1-[(3R)-2,3-dimethylcyclohexa-1,5-dien-1-yl]-2-fluorobenzene?
The InChIKey is PUIUIBSKFFQWOH-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H15F/c1-10-6-5-8-12(11(10)2)13-7-3-4-9-14(13)15/h3-5,7-10H,6H2,1-2H3/t10-/m1/s1.
What are the key properties of 1-[(3R)-2,3-dimethylcyclohexa-1,5-dien-1-yl]-2-fluorobenzene?
1-[(3R)-2,3-dimethylcyclohexa-1,5-dien-1-yl]-2-fluorobenzene has a molecular weight of 202.27 g/mol, XLogP of 4.20, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-2,3-dimethylcyclohexa-1,5-dien-1-yl]-2-fluorobenzene is sourced from PubChem (CID 70807045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).