1-fluoro-4-[(Z)-pent-2-en-3-yl]cyclohexa-1,3-diene

C11H15F — CID 89331697

IUPAC1-fluoro-4-[(Z)-pent-2-en-3-yl]cyclohexa-1,3-diene
SMILESC/C=C(/CC)C1=CC=C(F)CC1
InChIInChI=1S/C11H15F/c1-3-9(4-2)10-5-7-11(12)8-6-10/h3,5,7H,4,6,8H2,1-2H3/b9-3-
InChIKeyHBLJHTOUWARXKJ-OQFOIZHKSA-N
MW166.24 g/mol
LogP3.92
Rot. Bonds2

About 1-fluoro-4-[(Z)-pent-2-en-3-yl]cyclohexa-1,3-diene

1-fluoro-4-[(Z)-pent-2-en-3-yl]cyclohexa-1,3-diene (PubChem CID 89331697) has the molecular formula C11H15F and a molecular weight of 166.24 g/mol. Its IUPAC name is 1-fluoro-4-[(Z)-pent-2-en-3-yl]cyclohexa-1,3-diene.

Molecular Properties

Compound Name1-fluoro-4-[(Z)-pent-2-en-3-yl]cyclohexa-1,3-diene
PubChem CID89331697
Molecular FormulaC11H15F
Molecular Weight166.24 g/mol
Exact Mass166.12
IUPAC Name1-fluoro-4-[(Z)-pent-2-en-3-yl]cyclohexa-1,3-diene
SMILESC/C=C(/CC)C1=CC=C(F)CC1
InChIInChI=1S/C11H15F/c1-3-9(4-2)10-5-7-11(12)8-6-10/h3,5,7H,4,6,8H2,1-2H3/b9-3-
InChIKeyHBLJHTOUWARXKJ-OQFOIZHKSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.24
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[(Z)-pent-2-en-3-yl]cyclohexa-1,3-diene?
The IUPAC name of 1-fluoro-4-[(Z)-pent-2-en-3-yl]cyclohexa-1,3-diene (CID 89331697) is 1-fluoro-4-[(Z)-pent-2-en-3-yl]cyclohexa-1,3-diene.
What is the SMILES notation for 1-fluoro-4-[(Z)-pent-2-en-3-yl]cyclohexa-1,3-diene?
The canonical SMILES for 1-fluoro-4-[(Z)-pent-2-en-3-yl]cyclohexa-1,3-diene is C/C=C(/CC)C1=CC=C(F)CC1.
What is the InChIKey of 1-fluoro-4-[(Z)-pent-2-en-3-yl]cyclohexa-1,3-diene?
The InChIKey is HBLJHTOUWARXKJ-OQFOIZHKSA-N. The full InChI is InChI=1S/C11H15F/c1-3-9(4-2)10-5-7-11(12)8-6-10/h3,5,7H,4,6,8H2,1-2H3/b9-3-.
What are the key properties of 1-fluoro-4-[(Z)-pent-2-en-3-yl]cyclohexa-1,3-diene?
1-fluoro-4-[(Z)-pent-2-en-3-yl]cyclohexa-1,3-diene has a molecular weight of 166.24 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[(Z)-pent-2-en-3-yl]cyclohexa-1,3-diene is sourced from PubChem (CID 89331697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).