1,2-dichloro-3-fluoro-4-propan-2-ylcyclohexa-1,3-diene

C9H11Cl2F — CID 155136709

IUPAC1,2-dichloro-3-fluoro-4-propan-2-ylcyclohexa-1,3-diene
SMILESCC(C)C1=C(F)C(Cl)=C(Cl)CC1
InChIInChI=1S/C9H11Cl2F/c1-5(2)6-3-4-7(10)8(11)9(6)12/h5H,3-4H2,1-2H3
InChIKeyZSCSXURPTRIJIE-UHFFFAOYSA-N
MW209.09 g/mol
LogP4.35
Rot. Bonds1

About 1,2-dichloro-3-fluoro-4-propan-2-ylcyclohexa-1,3-diene

1,2-dichloro-3-fluoro-4-propan-2-ylcyclohexa-1,3-diene (PubChem CID 155136709) has the molecular formula C9H11Cl2F and a molecular weight of 209.09 g/mol. Its IUPAC name is 1,2-dichloro-3-fluoro-4-propan-2-ylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1,2-dichloro-3-fluoro-4-propan-2-ylcyclohexa-1,3-diene
PubChem CID155136709
Molecular FormulaC9H11Cl2F
Molecular Weight209.09 g/mol
Exact Mass208.02
IUPAC Name1,2-dichloro-3-fluoro-4-propan-2-ylcyclohexa-1,3-diene
SMILESCC(C)C1=C(F)C(Cl)=C(Cl)CC1
InChIInChI=1S/C9H11Cl2F/c1-5(2)6-3-4-7(10)8(11)9(6)12/h5H,3-4H2,1-2H3
InChIKeyZSCSXURPTRIJIE-UHFFFAOYSA-N
XLogP4.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.09
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

6-Chloro-3-fluoro-1-propan-2-ylcyclohexa-1,3-diene
CID 70355974
2-Chloro-4-ethyl-1-(fluoromethyl)cyclohexene
CID 89168214
1,3-Dichloro-4-fluoro-2-propan-2-ylcyclohexa-1,3-diene
CID 130390657
1-Chloro-2-fluoro-3,6-dimethylcyclohexene
CID 132149699
6-Chloro-1-ethyl-3-fluoro-5-methylcyclohexa-1,3-diene
CID 135127586
1-Chloro-4-ethyl-2,3,6-trifluoro-5-methylcyclohepta-1,3-diene
CID 138699239
5-Chloro-1-fluoro-4-propan-2-ylcyclohexa-1,3-diene
CID 156279501
1-Chloro-2,6-difluoro-6-methyl-4-propan-2-ylcyclohexa-1,3-diene
CID 163555287
2-Chloro-1-fluoro-4-methyl-3,5-dimethylidenecyclohexene
CID 163890894
1-Chloro-2-fluoro-4-propan-2-ylcyclohexa-1,3-diene
CID 166537853
3-Chloro-2-fluoro-1-propan-2-ylcyclohexa-1,3-diene
CID 166537915
3-Chloro-1-propan-2-yl-2-(trifluoromethyl)cyclohexa-1,3-diene
CID 169127790

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-3-fluoro-4-propan-2-ylcyclohexa-1,3-diene?
The IUPAC name of 1,2-dichloro-3-fluoro-4-propan-2-ylcyclohexa-1,3-diene (CID 155136709) is 1,2-dichloro-3-fluoro-4-propan-2-ylcyclohexa-1,3-diene.
What is the SMILES notation for 1,2-dichloro-3-fluoro-4-propan-2-ylcyclohexa-1,3-diene?
The canonical SMILES for 1,2-dichloro-3-fluoro-4-propan-2-ylcyclohexa-1,3-diene is CC(C)C1=C(F)C(Cl)=C(Cl)CC1.
What is the InChIKey of 1,2-dichloro-3-fluoro-4-propan-2-ylcyclohexa-1,3-diene?
The InChIKey is ZSCSXURPTRIJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2F/c1-5(2)6-3-4-7(10)8(11)9(6)12/h5H,3-4H2,1-2H3.
What are the key properties of 1,2-dichloro-3-fluoro-4-propan-2-ylcyclohexa-1,3-diene?
1,2-dichloro-3-fluoro-4-propan-2-ylcyclohexa-1,3-diene has a molecular weight of 209.09 g/mol, XLogP of 4.35, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-3-fluoro-4-propan-2-ylcyclohexa-1,3-diene is sourced from PubChem (CID 155136709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).