ethane;4-fluoro-3-methyl-7H-benzo[7]annulene

C14H17F — CID 143029285

IUPACethane;4-fluoro-3-methyl-7H-benzo[7]annulene
SMILESCC.Cc1ccc2c(c1F)C=CCC=C2
InChIInChI=1S/C12H11F.C2H6/c1-9-7-8-10-5-3-2-4-6-11(10)12(9)13;1-2/h3-8H,2H2,1H3;1-2H3
InChIKeyTZVYXJGGSCIAJU-UHFFFAOYSA-N
MW204.29 g/mol
LogP4.59
Rot. Bonds

About ethane;4-fluoro-3-methyl-7H-benzo[7]annulene

ethane;4-fluoro-3-methyl-7H-benzo[7]annulene (PubChem CID 143029285) has the molecular formula C14H17F and a molecular weight of 204.29 g/mol. Its IUPAC name is ethane;4-fluoro-3-methyl-7H-benzo[7]annulene.

Molecular Properties

Compound Nameethane;4-fluoro-3-methyl-7H-benzo[7]annulene
PubChem CID143029285
Molecular FormulaC14H17F
Molecular Weight204.29 g/mol
Exact Mass204.13
IUPAC Nameethane;4-fluoro-3-methyl-7H-benzo[7]annulene
SMILESCC.Cc1ccc2c(c1F)C=CCC=C2
InChIInChI=1S/C12H11F.C2H6/c1-9-7-8-10-5-3-2-4-6-11(10)12(9)13;1-2/h3-8H,2H2,1H3;1-2H3
InChIKeyTZVYXJGGSCIAJU-UHFFFAOYSA-N
XLogP4.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;4-fluoro-3-methyl-7H-benzo[7]annulene?
The IUPAC name of ethane;4-fluoro-3-methyl-7H-benzo[7]annulene (CID 143029285) is ethane;4-fluoro-3-methyl-7H-benzo[7]annulene.
What is the SMILES notation for ethane;4-fluoro-3-methyl-7H-benzo[7]annulene?
The canonical SMILES for ethane;4-fluoro-3-methyl-7H-benzo[7]annulene is CC.Cc1ccc2c(c1F)C=CCC=C2.
What is the InChIKey of ethane;4-fluoro-3-methyl-7H-benzo[7]annulene?
The InChIKey is TZVYXJGGSCIAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F.C2H6/c1-9-7-8-10-5-3-2-4-6-11(10)12(9)13;1-2/h3-8H,2H2,1H3;1-2H3.
What are the key properties of ethane;4-fluoro-3-methyl-7H-benzo[7]annulene?
ethane;4-fluoro-3-methyl-7H-benzo[7]annulene has a molecular weight of 204.29 g/mol, XLogP of 4.59, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-fluoro-3-methyl-7H-benzo[7]annulene is sourced from PubChem (CID 143029285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).