(5Z)-5-ethylidene-2-fluorocyclohexa-1,3-diene

C8H9F — CID 14201730

IUPAC(5Z)-5-ethylidene-2-fluorocyclohexa-1,3-diene
SMILESC/C=C1\C=CC(F)=CC1
InChIInChI=1S/C8H9F/c1-2-7-3-5-8(9)6-4-7/h2-3,5-6H,4H2,1H3/b7-2+
InChIKeyAWBBGCFIYFFFBZ-FARCUNLSSA-N
MW124.16 g/mol
LogP2.75
Rot. Bonds

About (5Z)-5-ethylidene-2-fluorocyclohexa-1,3-diene

(5Z)-5-ethylidene-2-fluorocyclohexa-1,3-diene (PubChem CID 14201730) has the molecular formula C8H9F and a molecular weight of 124.16 g/mol. Its IUPAC name is (5Z)-5-ethylidene-2-fluorocyclohexa-1,3-diene.

Molecular Properties

Compound Name(5Z)-5-ethylidene-2-fluorocyclohexa-1,3-diene
PubChem CID14201730
Molecular FormulaC8H9F
Molecular Weight124.16 g/mol
Exact Mass124.07
IUPAC Name(5Z)-5-ethylidene-2-fluorocyclohexa-1,3-diene
SMILESC/C=C1\C=CC(F)=CC1
InChIInChI=1S/C8H9F/c1-2-7-3-5-8(9)6-4-7/h2-3,5-6H,4H2,1H3/b7-2+
InChIKeyAWBBGCFIYFFFBZ-FARCUNLSSA-N
XLogP2.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.16
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-ethylidene-2-fluorocyclohexa-1,3-diene?
The IUPAC name of (5Z)-5-ethylidene-2-fluorocyclohexa-1,3-diene (CID 14201730) is (5Z)-5-ethylidene-2-fluorocyclohexa-1,3-diene.
What is the SMILES notation for (5Z)-5-ethylidene-2-fluorocyclohexa-1,3-diene?
The canonical SMILES for (5Z)-5-ethylidene-2-fluorocyclohexa-1,3-diene is C/C=C1\C=CC(F)=CC1.
What is the InChIKey of (5Z)-5-ethylidene-2-fluorocyclohexa-1,3-diene?
The InChIKey is AWBBGCFIYFFFBZ-FARCUNLSSA-N. The full InChI is InChI=1S/C8H9F/c1-2-7-3-5-8(9)6-4-7/h2-3,5-6H,4H2,1H3/b7-2+.
What are the key properties of (5Z)-5-ethylidene-2-fluorocyclohexa-1,3-diene?
(5Z)-5-ethylidene-2-fluorocyclohexa-1,3-diene has a molecular weight of 124.16 g/mol, XLogP of 2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-ethylidene-2-fluorocyclohexa-1,3-diene is sourced from PubChem (CID 14201730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).