5-[(E)-3-chloroprop-2-enyl]-1,5-difluorocyclohexa-1,3-diene

C9H9ClF2 — CID 21113198

IUPAC5-[(E)-3-chloroprop-2-enyl]-1,5-difluorocyclohexa-1,3-diene
SMILESFC1=CC=CC(F)(C/C=C/Cl)C1
InChIInChI=1S/C9H9ClF2/c10-6-2-5-9(12)4-1-3-8(11)7-9/h1-4,6H,5,7H2/b6-2+
InChIKeyKUHGNBYSBNDXAA-QHHAFSJGSA-N
MW190.62 g/mol
LogP3.65
Rot. Bonds2

About 5-[(E)-3-chloroprop-2-enyl]-1,5-difluorocyclohexa-1,3-diene

5-[(E)-3-chloroprop-2-enyl]-1,5-difluorocyclohexa-1,3-diene (PubChem CID 21113198) has the molecular formula C9H9ClF2 and a molecular weight of 190.62 g/mol. Its IUPAC name is 5-[(E)-3-chloroprop-2-enyl]-1,5-difluorocyclohexa-1,3-diene.

Molecular Properties

Compound Name5-[(E)-3-chloroprop-2-enyl]-1,5-difluorocyclohexa-1,3-diene
PubChem CID21113198
Molecular FormulaC9H9ClF2
Molecular Weight190.62 g/mol
Exact Mass190.04
IUPAC Name5-[(E)-3-chloroprop-2-enyl]-1,5-difluorocyclohexa-1,3-diene
SMILESFC1=CC=CC(F)(C/C=C/Cl)C1
InChIInChI=1S/C9H9ClF2/c10-6-2-5-9(12)4-1-3-8(11)7-9/h1-4,6H,5,7H2/b6-2+
InChIKeyKUHGNBYSBNDXAA-QHHAFSJGSA-N
XLogP3.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.62
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-Fluoro-5-chlorostyrene
CID 129714451
5-Chloro-6-ethyl-1-fluorocyclohexa-1,3-diene
CID 20777183
6-[(E)-3-chloroprop-2-enyl]-1,6-difluorocyclohexa-1,3-diene
CID 21113197
2-chloro-5-[(E)-3-chloroprop-2-enyl]-5-fluorocyclohexa-1,3-diene
CID 21113199
6-Chloro-6-methyl-1-(trifluoromethyl)cyclohexa-1,3-diene
CID 70484837
1-(2-Chloro-ethyl)-4-fluorophenyl hydrochloride
CID 86673105
(6R)-2,6-dichloro-5-ethyl-1-fluorocyclohexa-1,3-diene
CID 89189799
5-Chloro-6-ethyl-1-fluoro-6-methylcyclohexa-1,3-diene
CID 137508008
5-(2-Chloroethyl)-2,5-difluorocyclohexa-1,3-diene
CID 152300592
2-(Chloromethyl)-6-methylidene-5-(trifluoromethyl)cyclohexa-1,3-diene
CID 155351035
5-(1-Chloroethyl)-1,5-difluorocyclohexa-1,3-diene
CID 162700255
6-Chloro-2-ethenyl-5-(trifluoromethyl)cyclohexa-1,3-diene
CID 166942471

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-3-chloroprop-2-enyl]-1,5-difluorocyclohexa-1,3-diene?
The IUPAC name of 5-[(E)-3-chloroprop-2-enyl]-1,5-difluorocyclohexa-1,3-diene (CID 21113198) is 5-[(E)-3-chloroprop-2-enyl]-1,5-difluorocyclohexa-1,3-diene.
What is the SMILES notation for 5-[(E)-3-chloroprop-2-enyl]-1,5-difluorocyclohexa-1,3-diene?
The canonical SMILES for 5-[(E)-3-chloroprop-2-enyl]-1,5-difluorocyclohexa-1,3-diene is FC1=CC=CC(F)(C/C=C/Cl)C1.
What is the InChIKey of 5-[(E)-3-chloroprop-2-enyl]-1,5-difluorocyclohexa-1,3-diene?
The InChIKey is KUHGNBYSBNDXAA-QHHAFSJGSA-N. The full InChI is InChI=1S/C9H9ClF2/c10-6-2-5-9(12)4-1-3-8(11)7-9/h1-4,6H,5,7H2/b6-2+.
What are the key properties of 5-[(E)-3-chloroprop-2-enyl]-1,5-difluorocyclohexa-1,3-diene?
5-[(E)-3-chloroprop-2-enyl]-1,5-difluorocyclohexa-1,3-diene has a molecular weight of 190.62 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-3-chloroprop-2-enyl]-1,5-difluorocyclohexa-1,3-diene is sourced from PubChem (CID 21113198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).