4-[(4-fluoro-2-methylcyclohexa-1,5-dien-1-yl)methyl]-1,2-dimethylbenzene

C16H19F — CID 71012716

IUPAC4-[(4-fluoro-2-methylcyclohexa-1,5-dien-1-yl)methyl]-1,2-dimethylbenzene
SMILESCC1=C(Cc2ccc(C)c(C)c2)C=CC(F)C1
InChIInChI=1S/C16H19F/c1-11-4-5-14(8-12(11)2)10-15-6-7-16(17)9-13(15)3/h4-8,16H,9-10H2,1-3H3
InChIKeyQBHWSJGWWCDVET-UHFFFAOYSA-N
MW230.33 g/mol
LogP4.46
Rot. Bonds2

About 4-[(4-fluoro-2-methylcyclohexa-1,5-dien-1-yl)methyl]-1,2-dimethylbenzene

4-[(4-fluoro-2-methylcyclohexa-1,5-dien-1-yl)methyl]-1,2-dimethylbenzene (PubChem CID 71012716) has the molecular formula C16H19F and a molecular weight of 230.33 g/mol. Its IUPAC name is 4-[(4-fluoro-2-methylcyclohexa-1,5-dien-1-yl)methyl]-1,2-dimethylbenzene.

Molecular Properties

Compound Name4-[(4-fluoro-2-methylcyclohexa-1,5-dien-1-yl)methyl]-1,2-dimethylbenzene
PubChem CID71012716
Molecular FormulaC16H19F
Molecular Weight230.33 g/mol
Exact Mass230.15
IUPAC Name4-[(4-fluoro-2-methylcyclohexa-1,5-dien-1-yl)methyl]-1,2-dimethylbenzene
SMILESCC1=C(Cc2ccc(C)c(C)c2)C=CC(F)C1
InChIInChI=1S/C16H19F/c1-11-4-5-14(8-12(11)2)10-15-6-7-16(17)9-13(15)3/h4-8,16H,9-10H2,1-3H3
InChIKeyQBHWSJGWWCDVET-UHFFFAOYSA-N
XLogP4.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluoro-2-methylcyclohexa-1,5-dien-1-yl)methyl]-1,2-dimethylbenzene?
The IUPAC name of 4-[(4-fluoro-2-methylcyclohexa-1,5-dien-1-yl)methyl]-1,2-dimethylbenzene (CID 71012716) is 4-[(4-fluoro-2-methylcyclohexa-1,5-dien-1-yl)methyl]-1,2-dimethylbenzene.
What is the SMILES notation for 4-[(4-fluoro-2-methylcyclohexa-1,5-dien-1-yl)methyl]-1,2-dimethylbenzene?
The canonical SMILES for 4-[(4-fluoro-2-methylcyclohexa-1,5-dien-1-yl)methyl]-1,2-dimethylbenzene is CC1=C(Cc2ccc(C)c(C)c2)C=CC(F)C1.
What is the InChIKey of 4-[(4-fluoro-2-methylcyclohexa-1,5-dien-1-yl)methyl]-1,2-dimethylbenzene?
The InChIKey is QBHWSJGWWCDVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F/c1-11-4-5-14(8-12(11)2)10-15-6-7-16(17)9-13(15)3/h4-8,16H,9-10H2,1-3H3.
What are the key properties of 4-[(4-fluoro-2-methylcyclohexa-1,5-dien-1-yl)methyl]-1,2-dimethylbenzene?
4-[(4-fluoro-2-methylcyclohexa-1,5-dien-1-yl)methyl]-1,2-dimethylbenzene has a molecular weight of 230.33 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluoro-2-methylcyclohexa-1,5-dien-1-yl)methyl]-1,2-dimethylbenzene is sourced from PubChem (CID 71012716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).