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

C10H15F — CID 89277390

IUPAC3-fluoro-2-methyl-5-propylcyclohexa-1,3-diene
SMILESCCCC1C=C(F)C(C)=CC1
InChIInChI=1S/C10H15F/c1-3-4-9-6-5-8(2)10(11)7-9/h5,7,9H,3-4,6H2,1-2H3
InChIKeyFPFMODYYSZBDLB-UHFFFAOYSA-N
MW154.23 g/mol
LogP3.61
Rot. Bonds2

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

3-fluoro-2-methyl-5-propylcyclohexa-1,3-diene (PubChem CID 89277390) has the molecular formula C10H15F and a molecular weight of 154.23 g/mol. Its IUPAC name is 3-fluoro-2-methyl-5-propylcyclohexa-1,3-diene.

Molecular Properties

Compound Name3-fluoro-2-methyl-5-propylcyclohexa-1,3-diene
PubChem CID89277390
Molecular FormulaC10H15F
Molecular Weight154.23 g/mol
Exact Mass154.12
IUPAC Name3-fluoro-2-methyl-5-propylcyclohexa-1,3-diene
SMILESCCCC1C=C(F)C(C)=CC1
InChIInChI=1S/C10H15F/c1-3-4-9-6-5-8(2)10(11)7-9/h5,7,9H,3-4,6H2,1-2H3
InChIKeyFPFMODYYSZBDLB-UHFFFAOYSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.23
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methyl-5-propylcyclohexa-1,3-diene?
The IUPAC name of 3-fluoro-2-methyl-5-propylcyclohexa-1,3-diene (CID 89277390) is 3-fluoro-2-methyl-5-propylcyclohexa-1,3-diene.
What is the SMILES notation for 3-fluoro-2-methyl-5-propylcyclohexa-1,3-diene?
The canonical SMILES for 3-fluoro-2-methyl-5-propylcyclohexa-1,3-diene is CCCC1C=C(F)C(C)=CC1.
What is the InChIKey of 3-fluoro-2-methyl-5-propylcyclohexa-1,3-diene?
The InChIKey is FPFMODYYSZBDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F/c1-3-4-9-6-5-8(2)10(11)7-9/h5,7,9H,3-4,6H2,1-2H3.
What are the key properties of 3-fluoro-2-methyl-5-propylcyclohexa-1,3-diene?
3-fluoro-2-methyl-5-propylcyclohexa-1,3-diene has a molecular weight of 154.23 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methyl-5-propylcyclohexa-1,3-diene is sourced from PubChem (CID 89277390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).