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

C9H9Cl2F — CID 21113199

IUPAC2-chloro-5-[(E)-3-chloroprop-2-enyl]-5-fluorocyclohexa-1,3-diene
SMILESFC1(C/C=C/Cl)C=CC(Cl)=CC1
InChIInChI=1S/C9H9Cl2F/c10-7-1-4-9(12)5-2-8(11)3-6-9/h1-3,5,7H,4,6H2/b7-1+
InChIKeyNWEOSTSBHKFBOY-LREOWRDNSA-N
MW207.08 g/mol
LogP3.92
Rot. Bonds2

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

2-chloro-5-[(E)-3-chloroprop-2-enyl]-5-fluorocyclohexa-1,3-diene (PubChem CID 21113199) has the molecular formula C9H9Cl2F and a molecular weight of 207.08 g/mol. Its IUPAC name is 2-chloro-5-[(E)-3-chloroprop-2-enyl]-5-fluorocyclohexa-1,3-diene.

Molecular Properties

Compound Name2-chloro-5-[(E)-3-chloroprop-2-enyl]-5-fluorocyclohexa-1,3-diene
PubChem CID21113199
Molecular FormulaC9H9Cl2F
Molecular Weight207.08 g/mol
Exact Mass206.01
IUPAC Name2-chloro-5-[(E)-3-chloroprop-2-enyl]-5-fluorocyclohexa-1,3-diene
SMILESFC1(C/C=C/Cl)C=CC(Cl)=CC1
InChIInChI=1S/C9H9Cl2F/c10-7-1-4-9(12)5-2-8(11)3-6-9/h1-3,5,7H,4,6H2/b7-1+
InChIKeyNWEOSTSBHKFBOY-LREOWRDNSA-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 ≤ 500207.08
LogP ≤ 53.92
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
5-[(E)-3-chloroprop-2-enyl]-1,5-difluorocyclohexa-1,3-diene
CID 21113198
1-(2-Chloro-ethyl)-4-fluorophenyl hydrochloride
CID 86673105
(6R)-2,6-dichloro-5-ethyl-1-fluorocyclohexa-1,3-diene
CID 89189799
1,6-Dichloro-5-ethyl-3-fluorocyclohexa-1,3-diene
CID 91129018
5-Chloro-6-ethyl-1-fluoro-6-methylcyclohexa-1,3-diene
CID 137508008
5-(2-Chloroethyl)-2,5-difluorocyclohexa-1,3-diene
CID 152300592
5-(1-Chloroethyl)-1,5-difluorocyclohexa-1,3-diene
CID 162700255
2-Chloro-6-ethyl-1-fluorocyclohexa-1,3-diene
CID 167239810
2-Chloro-5-(3-chloroprop-2-enyl)-5-fluorocyclohexa-1,3-diene
CID 173162396

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(E)-3-chloroprop-2-enyl]-5-fluorocyclohexa-1,3-diene?
The IUPAC name of 2-chloro-5-[(E)-3-chloroprop-2-enyl]-5-fluorocyclohexa-1,3-diene (CID 21113199) is 2-chloro-5-[(E)-3-chloroprop-2-enyl]-5-fluorocyclohexa-1,3-diene.
What is the SMILES notation for 2-chloro-5-[(E)-3-chloroprop-2-enyl]-5-fluorocyclohexa-1,3-diene?
The canonical SMILES for 2-chloro-5-[(E)-3-chloroprop-2-enyl]-5-fluorocyclohexa-1,3-diene is FC1(C/C=C/Cl)C=CC(Cl)=CC1.
What is the InChIKey of 2-chloro-5-[(E)-3-chloroprop-2-enyl]-5-fluorocyclohexa-1,3-diene?
The InChIKey is NWEOSTSBHKFBOY-LREOWRDNSA-N. The full InChI is InChI=1S/C9H9Cl2F/c10-7-1-4-9(12)5-2-8(11)3-6-9/h1-3,5,7H,4,6H2/b7-1+.
What are the key properties of 2-chloro-5-[(E)-3-chloroprop-2-enyl]-5-fluorocyclohexa-1,3-diene?
2-chloro-5-[(E)-3-chloroprop-2-enyl]-5-fluorocyclohexa-1,3-diene has a molecular weight of 207.08 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 2-chloro-5-[(E)-3-chloroprop-2-enyl]-5-fluorocyclohexa-1,3-diene is sourced from PubChem (CID 21113199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).