ethane;1-fluoro-2-methylbenzene;5-methylcyclohexa-1,3-diene

C16H23F — CID 143151929

IUPACethane;1-fluoro-2-methylbenzene;5-methylcyclohexa-1,3-diene
SMILESCC.CC1C=CC=CC1.Cc1ccccc1F
InChIInChI=1S/C7H7F.C7H10.C2H6/c1-6-4-2-3-5-7(6)8;1-7-5-3-2-4-6-7;1-2/h2-5H,1H3;2-5,7H,6H2,1H3;1-2H3
InChIKeyAGFOGNURMNFYRJ-UHFFFAOYSA-N
MW234.36 g/mol
LogP5.30
Rot. Bonds

About ethane;1-fluoro-2-methylbenzene;5-methylcyclohexa-1,3-diene

ethane;1-fluoro-2-methylbenzene;5-methylcyclohexa-1,3-diene (PubChem CID 143151929) has the molecular formula C16H23F and a molecular weight of 234.36 g/mol. Its IUPAC name is ethane;1-fluoro-2-methylbenzene;5-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Nameethane;1-fluoro-2-methylbenzene;5-methylcyclohexa-1,3-diene
PubChem CID143151929
Molecular FormulaC16H23F
Molecular Weight234.36 g/mol
Exact Mass234.18
IUPAC Nameethane;1-fluoro-2-methylbenzene;5-methylcyclohexa-1,3-diene
SMILESCC.CC1C=CC=CC1.Cc1ccccc1F
InChIInChI=1S/C7H7F.C7H10.C2H6/c1-6-4-2-3-5-7(6)8;1-7-5-3-2-4-6-7;1-2/h2-5H,1H3;2-5,7H,6H2,1H3;1-2H3
InChIKeyAGFOGNURMNFYRJ-UHFFFAOYSA-N
XLogP5.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.36
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;1-fluoro-2-methylbenzene;5-methylcyclohexa-1,3-diene?
The IUPAC name of ethane;1-fluoro-2-methylbenzene;5-methylcyclohexa-1,3-diene (CID 143151929) is ethane;1-fluoro-2-methylbenzene;5-methylcyclohexa-1,3-diene.
What is the SMILES notation for ethane;1-fluoro-2-methylbenzene;5-methylcyclohexa-1,3-diene?
The canonical SMILES for ethane;1-fluoro-2-methylbenzene;5-methylcyclohexa-1,3-diene is CC.CC1C=CC=CC1.Cc1ccccc1F.
What is the InChIKey of ethane;1-fluoro-2-methylbenzene;5-methylcyclohexa-1,3-diene?
The InChIKey is AGFOGNURMNFYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F.C7H10.C2H6/c1-6-4-2-3-5-7(6)8;1-7-5-3-2-4-6-7;1-2/h2-5H,1H3;2-5,7H,6H2,1H3;1-2H3.
What are the key properties of ethane;1-fluoro-2-methylbenzene;5-methylcyclohexa-1,3-diene?
ethane;1-fluoro-2-methylbenzene;5-methylcyclohexa-1,3-diene has a molecular weight of 234.36 g/mol, XLogP of 5.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-fluoro-2-methylbenzene;5-methylcyclohexa-1,3-diene is sourced from PubChem (CID 143151929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).