5-fluoro-2-propylcyclohexa-1,3-diene

C9H13F — CID 123958861

IUPAC5-fluoro-2-propylcyclohexa-1,3-diene
SMILESCCCC1=CCC(F)C=C1
InChIInChI=1S/C9H13F/c1-2-3-8-4-6-9(10)7-5-8/h4-6,9H,2-3,7H2,1H3
InChIKeyJTZATWKTQLCXDR-UHFFFAOYSA-N
MW140.20 g/mol
LogP3.01
Rot. Bonds2

About 5-fluoro-2-propylcyclohexa-1,3-diene

5-fluoro-2-propylcyclohexa-1,3-diene (PubChem CID 123958861) has the molecular formula C9H13F and a molecular weight of 140.20 g/mol. Its IUPAC name is 5-fluoro-2-propylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5-fluoro-2-propylcyclohexa-1,3-diene
PubChem CID123958861
Molecular FormulaC9H13F
Molecular Weight140.20 g/mol
Exact Mass140.10
IUPAC Name5-fluoro-2-propylcyclohexa-1,3-diene
SMILESCCCC1=CCC(F)C=C1
InChIInChI=1S/C9H13F/c1-2-3-8-4-6-9(10)7-5-8/h4-6,9H,2-3,7H2,1H3
InChIKeyJTZATWKTQLCXDR-UHFFFAOYSA-N
XLogP3.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.20
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-propylcyclohexa-1,3-diene?
The IUPAC name of 5-fluoro-2-propylcyclohexa-1,3-diene (CID 123958861) is 5-fluoro-2-propylcyclohexa-1,3-diene.
What is the SMILES notation for 5-fluoro-2-propylcyclohexa-1,3-diene?
The canonical SMILES for 5-fluoro-2-propylcyclohexa-1,3-diene is CCCC1=CCC(F)C=C1.
What is the InChIKey of 5-fluoro-2-propylcyclohexa-1,3-diene?
The InChIKey is JTZATWKTQLCXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F/c1-2-3-8-4-6-9(10)7-5-8/h4-6,9H,2-3,7H2,1H3.
What are the key properties of 5-fluoro-2-propylcyclohexa-1,3-diene?
5-fluoro-2-propylcyclohexa-1,3-diene has a molecular weight of 140.20 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-propylcyclohexa-1,3-diene is sourced from PubChem (CID 123958861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).